Ethanethiol, 2-chloro-

HCID 78022
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Basic information

CAS
4325-97-7
Standard SMILES
SCCCl
InChIKey
ITHKUADHDKZENI-UHFFFAOYSA-N
Molecular formula
C2H5ClS
Average molar mass
96.58 g/mol
Monoisotopic mass
95.98004884

Names & identifiers

Preferred name
Ethanethiol, 2-chloro-
IUPAC
2-chloroethanethiol
English name
2-chloroethanethiol
Molecular formula
C2H5ClS
Molecular weight
96.58

Names & synonyms

4325-97-7Ethanethiol, 2-chloro-2-Chloroethyl mercaptanBRN 1730864DTXSID201958064-01-00-01406 (Beilstein Handbook Reference)RefChem:138194DTXCID201182972-Chloroethanethiol2-chloroethane-1-thiolSCHEMBL44167SCHEMBL44168
Show more names
Ethanethiol, 2-chloro- (7CI,8CI,9CI)
ITHKUADHDKZENI-UHFFFAOYSA-NAKOS006277113AT36815

Database identifiers

CAS
4325-97-7
PubChem CID
78022
DTXSID
DTXSID20195806
Nikkaji
J616.386F

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
4

Experimental & physicochemical properties

SpringerMaterials PropertiesCoriolis coupling

Physicochemical properties

Boiling point
113 °C · 113°C
Density
1.183 · 1.183
refractive index
1.4929 · 1.4929
pka
9.33 · 9.33±0.10(Predicted)
EWG's Food Scores
1 · 1

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers1 total

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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