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2-isothiocyanato-1-methyl-3-propan-2-ylbenzene

2-isothiocyanato-1-methyl-3-propan-2-ylbenzene structure

CAS No:
306935-86-4
Formula:
C11H13NS
Chemical Name:
2-isothiocyanato-1-methyl-3-propan-2-ylbenzene
Synonyms:
2-Isopropyl-6-methylphenyl isothiocyanate; 1-Isopropyl-2-isothiocyanato-3-methylbenzene;

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2-isothiocyanato-1-methyl-3-propan-2-ylbenzene Basic Attributes

Molecular Weight：

191.29300

Exact Mass：

191.07687059 g/mol

DSSTox ID：

DTXSID90343251

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

3.85270

Density：

0.99g/cm3

Boiling Point：

287.6ºC

Flash Point：

131ºC

Safety Information

Marks：

C; T

Computed Properties

Molecular Weight:191.29
XLogP3:4.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:191.07687059
Monoisotopic Mass:191.07687059
Topological Polar Surface Area:44.4
Heavy Atom Count:13
Complexity:206
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-isothiocyanato-1-methyl-3-propan-2-ylbenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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