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2-cyanopropan-2-yl benzenecarbodithioate

2-cyanopropan-2-yl benzenecarbodithioate structure

CAS No:
201611-85-0
Formula:
C11H11NS2
Chemical Name:
2-cyanopropan-2-yl benzenecarbodithioate
Synonyms:
2-CYANOPROPAN-2-YL BENZODITHIOATE; 1-cyano-1-methylethyl benzenecarbodithioate; 2-cyanopropan-2-yl dithiobenzoate; 2-Cyanoprop-2-yl Dithiobenzoate; 1-cyano-1-methylethyl dithiobenzoate; 2-Cyano-2-propyl benzodithioate;Expand
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-cyanopropan-2-yl benzenecarbodithioate Basic Attributes

Molecular Weight：

221.34200

Exact Mass：

221.03329170

DSSTox ID：

DTXSID30433403

HScode：

2930909090

Characteristics

PSA：

81.18000

XLogP3：

3.39748

Density：

1.192g/cm3

Boiling Point：

341.391ºC at 760 mmHg

Flash Point：

160.268ºC

Refractive Index：

1.621

Vapor Pressure：

0mmHg at 25°C

Safety Information

Precautionary statement(s)：

P280

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:221.3
XLogP3:3.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:221.03329170
Monoisotopic Mass:221.03329170
Topological Polar Surface Area:81.2
Heavy Atom Count:14
Complexity:256
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Cyano-2-propyl benzodithioate, CAS:201611-85-0

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CAS No.: 201611-85-0

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Latest News on 2-cyanopropan-2-yl benzenecarbodithioate

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Guide of 2-cyanopropan-2-yl benzenecarbodithioate

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Characteristics
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