Captamine

HCID 25799
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
108-02-1
Standard SMILES
CN(C)CCS
InChIKey
DENMGZODXQRYAR-UHFFFAOYSA-N
Molecular formula
C4H11NS
Average molar mass
105.2 g/mol
Monoisotopic mass
105.06122035

Overview

This is a chemical weapon precursor or chemical weapon impurity which is similar to 2-diethylaminoethanol. See the chemical datasheet for 2-diethylaminoethanol for more information.

Names & identifiers

Preferred name
Captamine
IUPAC
2-(dimethylamino)ethanethiol
English name
2-(Dimethylamino)ethanethiol
Molecular formula
C4H11NS
Molecular weight
105.2

Names & synonyms

Captamine2-(Dimethylamino)ethanethiol108-02-1Ethanethiol, 2-(dimethylamino)-Captamine [INN]CaptaminaN-Dimethyl cysteaminCaptaminum(2-Mercaptoethyl)dimethylamineCaptaminum [INN-Latin]Captamina [INN-Spanish](Dimethylamino)ethyl mercaptan
Show more names
2-(Dimethylamino)ethane-1-thiolN-Dimethyl cysteaminen,n-dimethylcysteamineDIMETHYLAMINOETHANETHIOL2-(dimethylamino)-ethanethio(dimethylamino)ethylmercaptan
N-Dimethyl cysteamin [German]9FS0ENU0GREINECS 203-543-3NSC-760122BRN 1071198N,N-(2-dimethylamino)ethanethiolp-Butylthiobenzhydryl-2-dimethylaminoethyl-sulfid2-(p-(Butylthio)benzhydrylthio)-N,N-dimethylethylamin

Database identifiers

CAS
108-02-1、13242-44-9
PubChem CID
25799
DTXSID
DTXSID9048350
ChEMBL
CHEMBL1395579
UNII
9FS0ENU0GR
EC Number
203-543-3
Nikkaji
J22.124D

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
4.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
6

Experimental & physicochemical properties

Physical DescriptionThis is a chemical weapon precursor or chemical weapon impurity which is similar to 2-diethylaminoethanol. See the chemical datasheet for 2-diethylaminoethanol for more information.

Physicochemical properties

Boiling point
120 · 120-140 °C
Density
0.8943 g/cm3 · 0.8943 g/cm3(Temp: 25 °C)
pka
8.4 · 8.40±0.10(Predicted)
FDA UNII
9 FS0ENU0GR · 9FS0ENU0GR
EPA Substance Registry System
N,N-(2-Dimethylamino)ethanethiol (108-02-1)
Symbol(GHS)
5 · GHS05,GHS07,GHS02

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Reactive GroupAmines, Phosphines, and Pyridines
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
DHS Chemicals of Interest (COI) · 4 items

N,N-(2-dimethylamino)ethanethiol

30.00

2.2

Chemical Weapons/Chemical Weapons Precursors chemical material that, if stolen or diverted, can be converted into weapons using simple chemistry, equipment, or techniques.

Regulatory information

DHS Chemicals of Interest (COI) · 4 items

N,N-(2-dimethylamino)ethanethiol

30.00

2.2

Chemical Weapons/Chemical Weapons Precursors chemical material that, if stolen or diverted, can be converted into weapons using simple chemistry, equipment, or techniques.

Safety data

Signal word
Danger
Symbol(GHS)
GHS05,GHS07,GHS02
Hazard statements
H226-H314-H312-H335-H332-H302
Precautionary statements
P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

UsesDepigmentor.

Upstream & downstream products

Related reactions

45 records
New reaction record

Compound notes

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