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Thiocaprolactam

Thiocaprolactam structure

CAS No:
7203-96-5
Formula:
C6H11NS
Chemical Name:
Thiocaprolactam
Synonyms:
2H-Azepine-2-thione,hexahydro-;Hexahydro-2H-azepine-2-thione;Thiocaprolactam;ε-Caprothiolactam;ω-Thiocaprolactam;ε-Thiocaprolactam;1-Aza-2-cycloheptanethione;Perhydroazepine-2-thione;NSC 14023;Azepane-2-thione

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Thiocaprolactam Basic Attributes

Molecular Weight：

129.22300

Exact Mass：

129.22

EC Number：

230-572-9

UNII：

AP7T5FNH9W

NSC Number：

14023

DSSTox ID：

DTXSID60222342

Characteristics

PSA：

44.12000

XLogP3：

1.80620

Density：

1.05g/cm3

Melting Point：

107-110 °C

Boiling Point：

188-190 °C @ Press: 18 Torr

Refractive Index：

1.544

Safety Information

Transport codes：

UN 3335

safety instructions：

26-36

RTECS Number：

CM3370000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:129.23
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:129.06122053
Monoisotopic Mass:129.06122053
Topological Polar Surface Area:44.1
Heavy Atom Count:8
Complexity:90.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Thiocaprolactam

Basic Attributes
Characteristics
Safety Information
Computed Properties

Thiocaprolactam

SDS

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