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Home > Nitro Compounds > 66584-61-0
66584-61-0 | Methanethiol, dinitro-
CAS No: 66584-61-0 Catalog No: AG00H86J MDL No:
Product Description
Catalog Number:
AG00H86J
Chemical Name:
Methanethiol, dinitro-
CAS Number:
66584-61-0
Molecular Formula:
CH2N2O4S
Molecular Weight:
138.1026
IUPAC Name:
dinitromethanethiol
InChI:
InChI=1S/CH2N2O4S/c4-2(5)1(8)3(6)7/h1,8H
InChI Key:
NHKCJSAVZOXIMO-UHFFFAOYSA-N
SMILES:
SC([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
98.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.974g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.097g/mol
Monoisotopic Mass:
137.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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