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S-(4-methylphenyl) 4-nitrobenzenecarbothioate

S-(4-methylphenyl) 4-nitrobenzenecarbothioate structure

CAS No:
28122-84-1
Formula:
C14H11NO3S
Chemical Name:
S-(4-methylphenyl) 4-nitrobenzenecarbothioate
Synonyms:
S-(p-Tolyl) p-nitrothiobenzoate;28122-84-1;BENZOIC ACID, p-NITROTHIO-, S-(p-TOLYL) ESTER;BRN 2507646;Benzoic acid, p-nitrothio-, S-p-tolyl ester;S-(4-Methylphenyl) 4-nitrobenzenecarbothioate;4-09-00-01399 (Beilstein Handbook Reference);DTXSID50182401;Benzenecarbothioic acid, 4-nitro-, S-(4-methylphenyl) ester;S-(p-Tolyl) 4-nitrothiolbenzoate;ZINC4582324;AKOS024333282;MCULE-7644651092;p-Nitrothiobenzoic acid S-p-tolyl ester;4-Nitrothiobenzoic acid S-p-tolyl ester;4-Nitro-thiobenzoic acid S-p-tolyl ester;s-(4-Methylphenyl)4-nitrobenzenecarbothioate;S-(4-Methylphenyl) 4-nitrobenzenecarbothioate #

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S-(4-methylphenyl) 4-nitrobenzenecarbothioate Basic Attributes

Molecular Weight：

273.31 g/mol

Exact Mass：

273.04596439 g/mol

DSSTox ID：

DTXSID50182401

Characteristics

PSA：

88.2 Å²

Safety Information

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:273.31
XLogP3:4.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:273.04596439
Monoisotopic Mass:273.04596439
Topological Polar Surface Area:88.2
Heavy Atom Count:19
Complexity:326
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of S-(4-methylphenyl) 4-nitrobenzenecarbothioate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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