2-(2-Cyanoethyl)isothiourea monohydrochloride

HCID 12417596
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Basic information

CAS
6634-40-8
Standard SMILES
Cl.N#CCCSC(=N)N
InChIKey
AFNOMYJVKMTGPV-UHFFFAOYSA-N
Molecular formula
C4H8ClN3S
Average molar mass
165.65 g/mol
Monoisotopic mass
165.01274594

Overview

See also: S-(2-Cyanoethyl)isothiouronium chloride (annotation moved to).

Names & identifiers

Preferred name
2-(2-Cyanoethyl)isothiourea monohydrochloride
IUPAC
2-cyanoethyl carbamimidothioate;hydrochloride
English name
2-(2-Cyanoethyl)isothiourea monohydrochloride
Molecular formula
C4H7N3S.ClH
Molecular weight
165.647

Names & synonyms

6634-40-82-(2-Cyanoethyl)isothiourea monohydrochloride2-(2-Cyanoethyl)isothioureamonohydrochloride2-cyanoethyl carbamimidothioate;hydrochloride2-(2-cyanoethyl)isothiourea hydrochlorideCarbamimidothioic acid, 2-cyanoethyl ester, monohydrochlorideSCHEMBL849818DTXSID30497323AFNOMYJVKMTGPV-UHFFFAOYSA-NNSC43524NSC51862NSC-43524
Show more names
2-cyanoethylthiouronium hydrochloride
NSC-51862AKOS024343618S-(2-cyanoethyl)isothiourea hydrochlorideS-(2-cyanoethyl) isothiourea hydrochlorideH816722-CYANOETHYL CARBAMIMIDOTHIOATE HYDROCHLORIDE2-Cyanoethyl carbamimidothioate--hydrogen chloride (1/1)

Database identifiers

CAS
6634-40-8
PubChem CID
12417596
DTXSID
DTXSID30497323

Properties

Computed structural properties

Topological polar surface area
99 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
9

Physicochemical properties

Melting point
165 · 165-166 °C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
335 · H335-H315-H312-H332-H302-H319
Precautionary statements
264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H335-H315-H312-H332-H302-H319
Precautionary statements
P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers3 total

天津希恩思生化科技有限公司400 638 7771 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
重庆卡兰医药有限公司[email protected]

Related reactions

2 records
New reaction record

Compound notes

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