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104256-57-7 | 4-Thiazolemethanethiol
CAS No: 104256-57-7 Catalog No: AG007Y9D MDL No:
Product Description
Catalog Number:
AG007Y9D
Chemical Name:
4-Thiazolemethanethiol
CAS Number:
104256-57-7
Molecular Formula:
C4H5NS2
Molecular Weight:
131.2192
IUPAC Name:
1,3-thiazol-4-ylmethanethiol
InChI:
InChI=1S/C4H5NS2/c6-1-4-2-7-3-5-4/h2-3,6H,1H2
InChI Key:
SNCMPUVRAZFKCG-UHFFFAOYSA-N
SMILES:
SCc1cscn1
Properties
Complexity:
57.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.986g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
131.211g/mol
Monoisotopic Mass:
130.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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