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Benzenepropanethiol

Benzenepropanethiol structure

CAS No:
24734-68-7
Formula:
C9H12S
Chemical Name:
Benzenepropanethiol
Synonyms:
Benzenepropanethiol;1-Propanethiol,3-phenyl-;3-Phenylpropylthiol;3-Phenylpropanethiol;3-Phenyl-1-propanethiol;3-Phenylpropyl mercaptan

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Benzenepropanethiol Basic Attributes

Molecular Weight：

152.25700

Exact Mass：

152.26

EC Number：

246-440-9

DSSTox ID：

DTXSID20179464

HScode：

2930909090

Characteristics

PSA：

38.80000

XLogP3：

2.54900

Density：

1.010 g/cm³ @ Temp: 17 °C

Boiling Point：

109 °C @ Press: 10 Torr

Flash Point：

90.6ºC

Refractive Index：

1.545

Vapor Pressure：

0.0535mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

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, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:152.26
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:152.06597156
Monoisotopic Mass:152.06597156
Topological Polar Surface Area:1
Heavy Atom Count:10
Complexity:74.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzenepropanethiol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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