CompoundList
Sign in
Aliphatic and alicyclic building blocks

Ditiomustine

Also known as ditiomustina, 1,1'-(Dithiodiethylene)bis(3-(2-chloroethyl)-1(or 3)-nitrosourea, ditiomustinum

CAS 82599-22-2Formula C10H18Cl2N6O4S2Molar mass 421.33 g/mol
Get quotes Safety data
Ditiomustine chemical structure, C10H18Cl2N6O4S2, CAS 82599-22-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
82599-22-2
Formula
C10H18Cl2N6O4S2
Molar mass
421.33 g/mol
HS code
293090
Category
Aliphatic and alicyclic building blocks

What is Ditiomustine?

Plain description, key identifiers and synonyms

Ditiomustine is a nitrosourea compound with alkylating activity. Ditiomustine crosslinks DNA, resulting in the inhibition of DNA replication and eventually cellular proliferation.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(2-chloroethyl)-3-[2-[2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethyldisulfanyl]ethyl]-1-nitrosourea
CAS number
82599-22-2 CAS number cross-checkedOther or deprecated CAS: 77469-44-4
Molecular formula
C10H18Cl2N6O4S2
UNII
810O95170J
InChIKey
XWPCYYOZOJKYKQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H18Cl2N6O4S2/c11-1-5-17(15-21)9(19)13-3-7-23-24-8-4-14-10(20)18(16-22)6-2-12/h1-8H2,(H,13,19)(H,14,20)
SMILES (canonical and isomeric)
C(CSSCCNC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O

Synonyms

  • ditiomustina
  • 1,1'-(Dithiodiethylene)bis(3-(2-chloroethyl)-1(or 3)-nitrosourea
  • ditiomustinum
  • 1-(2-chloroethyl)-3-[2-[2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethyldisulfanyl]ethyl]-1-nitrosourea
  • BCNCC
  • I.C.I.G. 1325
  • N,N'-Bis((2-chloroethyl)nitrosocarbamoyl)cystamine
  • N,N'-Bis((2-chloroethyl)-N-nitrosocarbamoyl)cystamine
  • 1,1'-Dithiodiethylenebis(3-(2-chloroethyl)-3-nitrosourea)
  • Di((chloro-2-ethyl)-2-N-nitroso-N-carbamoyl)-N,N-cystamine
  • 5,6-Dithia-2,9,11-triazatridecanamide, 13-chloro-N-(2-chloroethyl)-N,11-dinitroso-10-oxo-
  • Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-3-nitroso-
  • N,N'-bis[N-(2-chloroethyl)-N-nitrosocarbamoyl] cystamine
  • 1,1'-(Dithiodiethylene)bis(3-(2-chloroethyl))-1-nitrosourea
  • 1,1'-(Dithiodiethylene)bis(3-(2-chloroethyl))-1-nitrosourea.
  • N',N''-[Disulfanediyldi(ethane-2,1-diyl)]bis[N-(2-chloroethyl)-N-nitrosourea]

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
421.33 g/molcalc.
Exact mass
420.0208 Dacalc.
LogP (octanol/water)
2.23calc.
Topological polar surface area
123.5 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
13calc.
Heavy atoms
24calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Ditiomustine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Ditiomustine can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Ditiomustine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Ditiomustine is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Ditiomustine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ditiomustine, based on the data on this page

What is Ditiomustine?

Ditiomustine is a nitrosourea compound with alkylating activity. Ditiomustine crosslinks DNA, resulting in the inhibition of DNA replication and eventually cellular proliferation.

What is the CAS number of Ditiomustine?

The CAS registry number of Ditiomustine is 82599-22-2. Other or deprecated CAS numbers: 77469-44-4.

What is the molecular formula and weight of Ditiomustine?

The molecular formula of Ditiomustine is C10H18Cl2N6O4S2 and its molar mass is 421.33 g/mol.

What is Ditiomustine used for?

Known uses and roles of Ditiomustine include building blocks in research and laboratory.

Is Ditiomustine hazardous?

No GHS hazard classification for Ditiomustine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Ditiomustine?

Ditiomustine is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ditiomustine?

Post a free request on CompoundList and suppliers of Ditiomustine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Ditiomustine?

Suppliers quote Ditiomustine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Ditiomustine

Get quotes for Ditiomustine

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Ditiomustine
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Ditiomustine with a 3D view, its CAS number and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/ditiomustine-82599-22-2" title="Ditiomustine structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Aliphatic and alicyclic building blocks or HS code 293090

Price on request
Free quotes, contact stays private
Get quotes