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53770-80-2 | 2-nitroethane-1-thiol
CAS No: 53770-80-2 Catalog No: AG01A4JO MDL No:MFCD22046730
Product Description
Catalog Number:
AG01A4JO
Chemical Name:
2-nitroethane-1-thiol
CAS Number:
53770-80-2
Molecular Formula:
C2H5NO2S
Molecular Weight:
107.1316
MDL Number:
MFCD22046730
IUPAC Name:
2-nitroethanethiol
InChI:
InChI=1S/C2H5NO2S/c4-3(5)1-2-6/h6H,1-2H2
InChI Key:
JOGXYJKCOWWABM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCS
Properties
Complexity:
50
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.004g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
107.127g/mol
Monoisotopic Mass:
107.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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