4-Cyano-1-butanethiol - CAS 1053658-37-9

Catalog:	BB001627
Product Name:	4-Cyano-1-butanethiol
CAS:	1053658-37-9
Synonyms:	5-sulfanylpentanenitrile

Technical Data

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Computed Properties

IUPAC Name:	5-sulfanylpentanenitrile
Description:	4-Cyano-1-butanethiol (CAS# 1053658-37-9 ) is a useful research chemical.
Molecular Weight:	115.20
Molecular Formula:	C5H9NS
Canonical SMILES:	C(CCS)CC#N
InChI:	InChI=1S/C5H9NS/c6-4-2-1-3-5-7/h7H,1-3,5H2
InChI Key:	PABCJNLBWRWMLO-UHFFFAOYSA-N
LogP:	1.61008

Publication Number	Title	Priority Date
JP-2020102645-A	Semiconductor device and manufacturing method thereof	20200306
JP-6884899-B2	Semiconductor devices and their manufacturing methods	20200306
WO-2020264257-A1	Additives for coloring agents and methods of use thereof	20190628
KR-20200142713-A	Antimicrobial stent and preparation method thereof	20190613
KR-20200139102-A	Stent for thermotherapy and chemotherapy and preparation method thereof	20190603

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[6633-90-5]
1,4-Butanedithiol diacetate
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	71.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.04557046
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	115.04557046
Rotatable Bond Count:	3
Topological Polar Surface Area:	24.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9