2-(2-Chlorophenyl)ethanethioamide

HCID 2806785
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Basic information

CAS
673476-96-5
Standard SMILES
NC(=S)Cc1ccccc1Cl
InChIKey
GNGSSBBHSWKFCD-UHFFFAOYSA-N
Molecular formula
C8H8ClNS
Average molar mass
185.67 g/mol
Monoisotopic mass
185.00659794

Names & identifiers

Preferred name
2-(2-Chlorophenyl)ethanethioamide
IUPAC
2-(2-chlorophenyl)ethanethioamide
English name
2-(2-Chlorophenyl)ethanethioamide
Molecular formula
C8H8ClNS
Molecular weight
185.67

Names & synonyms

2-(2-chlorophenyl)ethanethioamide673476-96-5DTXSID80384517RefChem:250619DTXCID00335541678-923-9MFCD002782482-(2-Chlorophenyl)thioacetamideHMS2806N12MLS000851425(2-Chlorophenyl)ethanethioamideorb3169973
Show more names
Compound Fr125332-ChlorobenzeneethanethioamideBenzeneethanethioamide, 2-chloro-2-(2-Chlorophenyl)thioacetamide, 97%(2-chloro-phenyl)-thioacetic acid amide
SCHEMBL3714040CHEMBL1455842GNGSSBBHSWKFCD-UHFFFAOYSA-NFr12533AKOS000154528AS-62952SMR000457868CS-0204986

Database identifiers

CAS
673476-96-5
PubChem CID
2806785
DTXSID
DTXSID80384517
ChEMBL
CHEMBL1455842
EC Number
678-923-9

Properties

Computed structural properties

XLogP
2
Topological polar surface area
58.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

Solubility25.2 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Symbol(GHS)
6 · GHS06
Hazard statements
301 · H301-H315-H319-H335
Precautionary statements
261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
HS Code
2930909899 · 2930909899

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Safety data

hs_code
2930909899
Symbol(GHS)
GHS06
Hazard statements
H301-H315-H319-H335
Precautionary statements
P261-P280a-P301+P310a-P305+P351+P338-P405-P501a

Chemistry & industry

Upstream & downstream products

Suppliers10 total

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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