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(4-Isothiocyanatobutyl)benzene

(4-Isothiocyanatobutyl)benzene structure

CAS No:
61499-10-3
Formula:
C11H13NS
Chemical Name:
(4-Isothiocyanatobutyl)benzene
Synonyms:
Benzene,(4-isothiocyanatobutyl)-;(4-Isothiocyanatobutyl)benzene;Phenylbutyl isothiocyanate;4-Phenylbutyl isothiocyanate

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Description

1-Isothiocyanato-4-phenylbutane is a member of benzenes and an organic amino compound.

(4-Isothiocyanatobutyl)benzene Basic Attributes

Molecular Weight：

191.29 g/mol

Exact Mass：

191.29

DSSTox ID：

DTXSID80210463

Characteristics

PSA：

44.4 Å²

XLogP3：

4.0 (LogP)|4.00

Drug Information

MeSH Entry Terms：

4-phenylbutyl isothiocyanate

Computed Properties

Molecular Weight:191.29
XLogP3:4.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:191.07687059
Monoisotopic Mass:191.07687059
Topological Polar Surface Area:44.4
Heavy Atom Count:13
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4-Isothiocyanatobutyl)benzene

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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