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96-51-5 | 2,3-dihydro-1,3-thiazole-4-thiol
CAS No: 96-51-5 Catalog No: AG006QPB MDL No:
Product Description
Catalog Number:
AG006QPB
Chemical Name:
2,3-dihydro-1,3-thiazole-4-thiol
CAS Number:
96-51-5
Molecular Formula:
C3H5NS2
Molecular Weight:
119.2085
IUPAC Name:
2,3-dihydro-1,3-thiazole-4-thiol
InChI:
InChI=1S/C3H5NS2/c5-3-1-6-2-4-3/h1,4-5H,2H2
InChI Key:
ZYHDFWKHJXMUEH-UHFFFAOYSA-N
SMILES:
SC1=CSCN1
Properties
Complexity:
78.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.986g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
119.2g/mol
Monoisotopic Mass:
118.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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