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13816-02-9 | Thiazole, 2-ethenyl-
CAS No: 13816-02-9 Catalog No: AG00HV8C MDL No:MFCD12911553
Product Description
Catalog Number:
AG00HV8C
Chemical Name:
Thiazole, 2-ethenyl-
CAS Number:
13816-02-9
Molecular Formula:
C5H5NS
Molecular Weight:
111.1649
MDL Number:
MFCD12911553
IUPAC Name:
2-ethenyl-1,3-thiazole
InChI:
InChI=1S/C5H5NS/c1-2-5-6-3-4-7-5/h2-4H,1H2
InChI Key:
JDCUKFVNOWJNBU-UHFFFAOYSA-N
SMILES:
C=Cc1nccs1
Properties
Complexity:
72.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.014g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.162g/mol
Monoisotopic Mass:
111.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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