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1-propan-2-ylsulfanylbuta-1,3-diene

1-propan-2-ylsulfanylbuta-1,3-diene structure

CAS No:
88017-34-9
Formula:
C7H12S
Chemical Name:
1-propan-2-ylsulfanylbuta-1,3-diene
Synonyms:
1,3-Butadiene, 1-[(1-methylethyl)thio]-, (E)-;DTXSID80339860;88017-34-9

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1-propan-2-ylsulfanylbuta-1,3-diene Basic Attributes

Molecular Weight：

128.24 g/mol

Exact Mass：

128.06597156 g/mol

DSSTox ID：

DTXSID80339860

Characteristics

PSA：

25.3 Å²

Computed Properties

Molecular Weight:128.24
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:128.06597156
Monoisotopic Mass:128.06597156
Topological Polar Surface Area:25.3
Heavy Atom Count:8
Complexity:82.4
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-propan-2-ylsulfanylbuta-1,3-diene

Basic Attributes
Characteristics
Computed Properties

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