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(6-Isothiocyanatohexyl)benzene

(6-Isothiocyanatohexyl)benzene structure

CAS No:
133920-06-6
Formula:
C13H17NS
Chemical Name:
(6-Isothiocyanatohexyl)benzene
Synonyms:
Benzene,(6-isothiocyanatohexyl)-;(6-Isothiocyanatohexyl)benzene;6-Phenylhexyl isothiocyanate

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(6-Isothiocyanatohexyl)benzene Basic Attributes

Molecular Weight：

219.35 g/mol

Exact Mass：

219.35

DSSTox ID：

DTXSID3021146

Characteristics

PSA：

44.4 Å²

Drug Information

MeSH Entry Terms：

6-phenylhexyl isothiocyanate

Computed Properties

Molecular Weight:219.35
XLogP3:5.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:219.10817072
Monoisotopic Mass:219.10817072
Topological Polar Surface Area:44.4
Heavy Atom Count:15
Complexity:191
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (6-Isothiocyanatohexyl)benzene

Basic Attributes
Characteristics
Drug Information
Computed Properties

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