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Hexahydro-2H-1,3-diazepine-2-thione

Hexahydro-2H-1,3-diazepine-2-thione structure

CAS No:
5700-04-9
Formula:
C5H10N2S
Chemical Name:
Hexahydro-2H-1,3-diazepine-2-thione
Synonyms:
2H-1,3-Diazepine-2-thione,hexahydro-;Hexahydro-2H-1,3-diazepine-2-thione;N,N′-Tetramethylenethiourea;Hexahydro-1,3-diazepine-2-thione;Tetramethylenethiourea;1,3-Diazacycloheptane-2-thione;1,3-Diazepane-2-thione;49675-18-5

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Hexahydro-2H-1,3-diazepine-2-thione Basic Attributes

Molecular Weight：

130.209

Exact Mass：

130.21

DSSTox ID：

DTXSID50205609

HScode：

2933990090

Characteristics

PSA：

56.2

XLogP3：

0.90190

Density：

1.14g/cm3

Melting Point：

177 °C

Boiling Point：

194.4ºC at 760 mmHg

Flash Point：

71.4ºC

Refractive Index：

1.576

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:130.21
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Exact Mass:130.05646950
Monoisotopic Mass:130.05646950
Topological Polar Surface Area:56.2
Heavy Atom Count:8
Complexity:82.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Hexahydro-2H-1,3-diazepine-2-thione

Basic Attributes
Characteristics
Safety Information
Computed Properties

Hexahydro-2H-1,3-diazepine-2-thione

SDS

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