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Tetrahydro-2H-thiopyran-4-amine hydrochloride

Tetrahydro-2H-thiopyran-4-amine hydrochloride - CAS 233763-40-1

Catalog:	BB018022
Product Name:	Tetrahydro-2H-thiopyran-4-amine hydrochloride
CAS:	233763-40-1
Synonyms:	4-thianamine;hydrochloride; thian-4-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	thian-4-amine;hydrochloride
Description:	Tetrahydro-2H-thiopyran-4-amine hydrochloride (CAS# 233763-40-1) is a useful research chemical.
Molecular Weight:	153.67
Molecular Formula:	C5H12ClNS
Canonical SMILES:	C1CSCCC1N.Cl
InChI:	InChI=1S/C5H11NS.ClH/c6-5-1-3-7-4-2-5;/h5H,1-4,6H2;1H
InChI Key:	CAUGAHCEDPFMJU-UHFFFAOYSA-N
Boiling Point:	233.7 °C at 760 mmHg
Purity:	95 %
MDL:	MFCD09701226
LogP:	2.34300

Publication Number	Title	Priority Date
TW-202010500-A	Pyrazolotriazolopyrimidine derivatives as A2A receptor	20180408
WO-2019196803-A1	Pyrazolotriazolopyrimidine derivatives as a2a receptor antagonist	20180408
AU-2019251148-A1	Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist	20180408
CN-112313234-A	Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists	20180408
EP-3774813-A1	Pyrazolotriazolopyrimidine derivatives as a2a receptor antagonist	20180408

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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:	50
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.0378983
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	153.0378983
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0