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1150102-52-5 | 2-Thiophenamine, N-methyl-3-nitro-
CAS No: 1150102-52-5 Catalog No: AG000FM2 MDL No:MFCD23135692
Product Description
Catalog Number:
AG000FM2
Chemical Name:
2-Thiophenamine, N-methyl-3-nitro-
CAS Number:
1150102-52-5
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
MDL Number:
MFCD23135692
IUPAC Name:
N-methyl-3-nitrothiophen-2-amine
InChI:
InChI=1S/C5H6N2O2S/c1-6-5-4(7(8)9)2-3-10-5/h2-3,6H,1H3
InChI Key:
KCQVUXYCAAADIH-UHFFFAOYSA-N
SMILES:
CNc1sccc1[N+](=O)[O-]
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.175g/mol
Monoisotopic Mass:
158.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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