thiophen-3-amine hemioxalate - CAS 861965-63-1

Catalog:	BB037852
Product Name:	thiophen-3-amine hemioxalate
CAS:	861965-63-1
Synonyms:	oxalic acid;3-thiophenamine; oxalic acid;thiophen-3-amine

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Computed Properties

IUPAC Name:	oxalic acid;thiophen-3-amine
Description:	thiophen-3-amine hemioxalate (CAS# 861965-63-1) is a useful research chemical.
Molecular Weight:	99.15
Molecular Formula:	C4H5NS.xC2H2O4
Canonical SMILES:	C1=CSC=C1N.C(=O)(C(=O)O)O
InChI:	InChI=1S/C4H5NS.C2H2O4/c5-4-1-2-6-3-4;3-1(4)2(5)6/h1-3H,5H2;(H,3,4)(H,5,6)
InChI Key:	XBLAYFVCUPTTOI-UHFFFAOYSA-N
MDL:	MFCD11111630
LogP:	1.06710

Publication Number	Title	Priority Date
CN-111018828-A	Fluorine-containing thiophene derivative 3- (N-trifluoroacetylamino) thiophene and synthetic method and application thereof	20191120
CN-111072930-A	Fluorine-containing thiophene derivative polymer film PEDOT-F, and preparation method and application thereof	20191120
CN-111018828-B	Fluorine-containing thiophene derivative 3- (N-trifluoroacetylamino) thiophene and synthetic method and application thereof	20191120
CN-109374806-A	A kind of method of 3- aminothiophene content in measurement bulk pharmaceutical chemicals	20181107
CN-109374806-B	Method for measuring content of 3-aminothiophene in bulk drug	20181107

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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:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.00957888
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	189.00957888
Rotatable Bond Count:	1
Topological Polar Surface Area:	129 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0