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172366-71-1 | 4-THIAZOLETHIOL
CAS No: 172366-71-1 Catalog No: AG007D1X MDL No:MFCD18821127
Product Description
Catalog Number:
AG007D1X
Chemical Name:
4-THIAZOLETHIOL
CAS Number:
172366-71-1
Molecular Formula:
C3H3NS2
Molecular Weight:
117.1926
MDL Number:
MFCD18821127
IUPAC Name:
1,3-thiazole-4-thiol
InChI:
InChI=1S/C3H3NS2/c5-3-1-6-2-4-3/h1-2,5H
InChI Key:
ZDWVOYRAWVKGHA-UHFFFAOYSA-N
SMILES:
Sc1cscn1
Properties
Complexity:
48.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.971g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
117.184g/mol
Monoisotopic Mass:
116.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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