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1-Cyano-4,5-epithiopentane

1-Cyano-4,5-epithiopentane structure

CAS No:
58130-94-2
Formula:
C6H9NS
Chemical Name:
1-Cyano-4,5-epithiopentane
Synonyms:
2-Thiiranebutanenitrile;Thiiranebutanenitrile;1-Cyano-4,5-epithiopentane;4,5-Epithiopentyl cyanide;5,6-Epithiohexanenitrile;76786-82-8

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Description

Thiiranebutanenitrile is an organosulfur heterocyclic compound and a saturated organic heteromonocyclic parent.

1-Cyano-4,5-epithiopentane Basic Attributes

Molecular Weight：

127.21 g/mol

Exact Mass：

127.21

Characteristics

PSA：

49.1 Å²

XLogP3：

0.716 (est)

Boiling Point：

259.00to260.00°C.@760.00mmHg(est)

Water Solubility：

4574 mg/L @ 25 °C (est)

Computed Properties

Molecular Weight:127.21
XLogP3:1.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:127.04557046
Monoisotopic Mass:127.04557046
Topological Polar Surface Area:49.1
Heavy Atom Count:8
Complexity:113
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Cyano-4,5-epithiopentane

Description
Basic Attributes
Characteristics
Computed Properties

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