AG00IKB7

99580-50-4 | 3-Thiophenecarbonitrile, 2-amino-4-hydroxy-

AG00IKB7

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CAS Number	99580-50-4
Catalog Number	AG00IKB7(AGN-PC-00N0EG)
Chemical Name	3-Thiophenecarbonitrile, 2-amino-4-hydroxy-
EC Number	619-446-8
IUPAC Name	2-amino-4-hydroxythiophene-3-carbonitrile
InChI	InChI=1S/C5H4N2OS/c6-1-3-4(8)2-9-5(3)7/h2,8H,7H2
InChI Key	BBSSHLOVHLENAE-UHFFFAOYSA-N
MDL Number	MFCD19204858
Molecular Formula	C5H4N2OS
Molecular Weight	140.1631
SMILES	N#CC1=C(N)SC=C1O
Synonyms	2-amino-4-hydroxythiophene-3-carbonitrile, 99580-50-4, 2-amino-3-cyano-4-hydroxythiophene, 3-Thiophenecarbonitrile, 2-amino-4-hydroxy-, SCHEMBL9487040, KS-00000OLD, DTXSID70543494, BBSSHLOVHLENAE-UHFFFAOYSA-N, WT553, MFCD19204858, ZINC16136141, AKOS006340745, CS-W007195, MCULE-4565893362, NE17421, AJ-68465, AK-43809, DS-14256, Z2487, Z1511483987, C5H4N2OS,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.004g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	140.16g/mol
Monoisotopic Mass	140.004g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	98.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number