4-amino-4-methyl-1λ⁶-thiane-1,1-dione - CAS 1461707-16-3

Catalog:	BB010051
Product Name:	4-amino-4-methyl-1λ⁶-thiane-1,1-dione
CAS:	1461707-16-3
Synonyms:	4-methyl-1,1-dioxo-4-thianamine; 4-methyl-1,1-dioxothian-4-amine

Technical Data

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Computed Properties

IUPAC Name:	4-methyl-1,1-dioxothian-4-amine
Description:	4-amino-4-methyl-1λ⁶-thiane-1,1-dione (CAS# 1461707-16-3) is a useful research chemical.
Molecular Weight:	163.235
Molecular Formula:	C6H13NO2S
Canonical SMILES:	CC1(CCS(=O)(=O)CC1)N
InChI:	InChI=1S/C6H13NO2S/c1-6(7)2-4-10(8,9)5-3-6/h2-5,7H2,1H3
InChI Key:	HMFWRDOVBBANOO-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2010005783-A1	Pyrrolidinyl and piperidinyl compounds useful as nhe-1 inhibitors	20080708
US-2006106051-A1	Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same	20041112
US-7456194-B2	Imidazo-fused oxazolo [4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same	20041112

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.06669983
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.06669983
Rotatable Bond Count:	0
Topological Polar Surface Area:	68.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6