Ethyl [(4-Chlorophenyl)thio]acetate

HCID 257604
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Basic information

CAS
52377-68-1
Standard SMILES
CCOC(=O)CSc1ccc(Cl)cc1
InChIKey
ZXXZYFJTEHVGQY-UHFFFAOYSA-N
Molecular formula
C10H11ClO2S
Average molar mass
230.71 g/mol
Monoisotopic mass
230.01682827

Names & identifiers

Preferred name
Ethyl [(4-Chlorophenyl)thio]acetate
IUPAC
ethyl 2-(4-chlorophenyl)sulfanylacetate
English name
Ethyl 2-[(4-chlorophenyl)thio]acetate
Molecular formula
C10H11ClO2S
Molecular weight
230.71

Names & synonyms

52377-68-1Ethyl [(4-Chlorophenyl)thio]acetateEthyl 2-((4-chlorophenyl)thio)acetateEthyl 2-[(4-chlorophenyl)thio]acetateethyl 2-(4-chlorophenyl)sulfanylacetateethyl 2-[(4-chlorophenyl)sulfanyl]acetateMFCD01763828NSC85762NCIOpen2_004945SCHEMBL14346586DTXSID00292827ethyl (4-chlorophenylthio)acetate
Show more names
Acetic acid, 2-[(4-chlorophenyl)thio]-, ethyl ester
ZXXZYFJTEHVGQY-UHFFFAOYSA-NNSC-85762AKOS005102207Ethyl [(4-chlorophenyl)sulfanyl]acetateDB-208892CS-0315874ETHYL2-[(4-CHLOROPHENYL)THIO]ACETATED85786

Database identifiers

CAS
52377-68-1
PubChem CID
257604
DTXSID
DTXSID00292827
Nikkaji
J454.988K

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
51.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
14

Physicochemical properties

Boiling point
116 · 116-120 °C(Press: 0.22 Torr)
Density
1.25 · 1.25±0.1 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers11 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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