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1,4-Dimethyl-7-(1-methylethyl)-3-(phenylthio)azulene

1,4-Dimethyl-7-(1-methylethyl)-3-(phenylthio)azulene structure

CAS No:
2840-52-0
Formula:
C21H22S
Chemical Name:
1,4-Dimethyl-7-(1-methylethyl)-3-(phenylthio)azulene
Synonyms:
Azulene,1,4-dimethyl-7-(1-methylethyl)-3-(phenylthio)-;Azulene,7-isopropyl-1,4-dimethyl-3-(phenylthio)-;1,4-Dimethyl-7-(1-methylethyl)-3-(phenylthio)azulene;NSC 104306;1,4-Dimethyl-3-phenylsulfanyl-7-propan-2-ylazulene

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1,4-Dimethyl-7-(1-methylethyl)-3-(phenylthio)azulene Basic Attributes

Molecular Weight：

306.5 g/mol

Exact Mass：

306.46

NSC Number：

104306

DSSTox ID：

DTXSID60295697

Characteristics

PSA：

25.3 Å²

Melting Point：

61-62 °C

Computed Properties

Molecular Weight:306.5
XLogP3:6.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:306.14422188
Monoisotopic Mass:306.14422188
Topological Polar Surface Area:25.3
Heavy Atom Count:22
Complexity:344
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4-Dimethyl-7-(1-methylethyl)-3-(phenylthio)azulene

Basic Attributes
Characteristics
Computed Properties

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