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Home > Nitro Compounds > 22746-79-8
22746-79-8 | 2-(methylthio)-3-nitropyridine
CAS No: 22746-79-8 Catalog No: AG00J812 MDL No:MFCD21098387
Product Description
Catalog Number:
AG00J812
Chemical Name:
2-(methylthio)-3-nitropyridine
CAS Number:
22746-79-8
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
MDL Number:
MFCD21098387
IUPAC Name:
2-methylsulfanyl-3-nitropyridine
InChI:
InChI=1S/C6H6N2O2S/c1-11-6-5(8(9)10)3-2-4-7-6/h2-4H,1H3
InChI Key:
UGZSIPHNDAHATA-UHFFFAOYSA-N
SMILES:
CSc1ncccc1[N+](=O)[O-]
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.186g/mol
Monoisotopic Mass:
170.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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