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113403-05-7 | 2-Oxiranethiol
CAS No: 113403-05-7 Catalog No: AG0008GC MDL No:
Product Description
Catalog Number:
AG0008GC
Chemical Name:
2-Oxiranethiol
CAS Number:
113403-05-7
Molecular Formula:
C2H4OS
Molecular Weight:
76.1176
IUPAC Name:
oxirane-2-thiol
InChI:
InChI=1S/C2H4OS/c4-2-1-3-2/h2,4H,1H2
InChI Key:
RRSRKYQUKSNCIE-UHFFFAOYSA-N
SMILES:
SC1CO1
Properties
Complexity:
29.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
75.998g/mol
Formal Charge:
0
Heavy Atom Count:
4
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
76.113g/mol
Monoisotopic Mass:
75.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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