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1-[5-Chloro-2-[(phenylmethyl)thio]-3-thienyl]ethanone

1-[5-Chloro-2-[(phenylmethyl)thio]-3-thienyl]ethanone structure

CAS No:
160982-09-2
Formula:
C13H11ClOS2
Chemical Name:
1-[5-Chloro-2-[(phenylmethyl)thio]-3-thienyl]ethanone
Synonyms:
Ethanone,1-[5-chloro-2-[(phenylmethyl)thio]-3-thienyl]-;1-[5-Chloro-2-[(phenylmethyl)thio]-3-thienyl]ethanone;3-Acetyl-5-chloro-2-(benzylthio)thiophene;1-(2-(Benzylthio)-5-chlorothiophen-3-yl)ethanone;1-(2-Benzylsulfanyl-5-chlorothiophen-3-yl)ethanone;3-Acetyl-2-(phenylmethyl)thio-5-chlorothiophene

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Description

Yellow Solid

1-[5-Chloro-2-[(phenylmethyl)thio]-3-thienyl]ethanone Basic Attributes

Molecular Weight：

282.814

Exact Mass：

282.81

EC Number：

926-543-1

DSSTox ID：

DTXSID10430975

HScode：

2934999090

Characteristics

PSA：

70.6

XLogP3：

4.89640

Density：

1.33

Boiling Point：

407.5±45.0 °C(Predicted)

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-[5-Chloro-2-[(phenylmethyl)thio]-3-thienyl]ethanone Use and Manufacturing

Reagent used in the preparation of carbonic anhydrase inhibitors.

Computed Properties

Molecular Weight:282.8
XLogP3:4.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:281.9939850
Monoisotopic Mass:281.9939850
Topological Polar Surface Area:70.6
Heavy Atom Count:17
Complexity:266
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[5-Chloro-2-[(phenylmethyl)thio]-3-thienyl]ethanone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

1-[5-Chloro-2-[(phenylmethyl)thio]-3-thienyl]ethanone

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