Home Nitriles 3-Thiophenecarbonitrile, 2-amino-4-hydroxy-

3-Thiophenecarbonitrile, 2-amino-4-hydroxy-

CAS No.:
99580-50-4
Catalog Number:
AG00IKB7
Molecular Formula:
C5H4N2OS
Molecular Weight:
140.1631
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Product Description
Catalog Number:
AG00IKB7
Chemical Name:
3-Thiophenecarbonitrile, 2-amino-4-hydroxy-
CAS Number:
99580-50-4
Molecular Formula:
C5H4N2OS
Molecular Weight:
140.1631
MDL Number:
MFCD19204858
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
SMILES:
N#Cc1c(N)scc1O
EC Number:
619-446-8
Properties
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  
Properties