1-Methylpiperidine-4-thiol - CAS 1072-99-7

Catalog:	BB059571
Product Name:	1-Methylpiperidine-4-thiol
CAS:	1072-99-7
Synonyms:	1-methylpiperidine-4-thiol; 1-methyl-4-piperidinethiol; 1-methyl-piperidine-4-thiol; 1-Methyl-4-mercaptopiperidin; 1-methyl-4-mercaptopiperidine

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Computed Properties

IUPAC Name:	1-methylpiperidine-4-thiol
Description:	1-Methylpiperidine-4-thiol is a useful reagent in the preparation of quinazoline analogs of anpirtoline with potential analgesic properties.
Molecular Weight:	131.23
Molecular Formula:	C6H13NS
Canonical SMILES:	CN1CCC(CC1)S
InChI:	InChI=1S/C6H13NS/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
InChI Key:	TXVSXWOWWHALFQ-UHFFFAOYSA-N
References:	Radl, S., et al. Archiv der Pharmazie, 333, 381 (2000).

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PMID	Publication Date	Title	Journal
5781	19760101	Bacterial diseases of farmed fishes	Society for Applied Bacteriology symposium series

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	66.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.07687059
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	131.07687059
Rotatable Bond Count:	0
Topological Polar Surface Area:	4.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1