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693-90-3 | 4-Methylisothiazole
CAS No: 693-90-3 Catalog No: AG00FFF1 MDL No:MFCD11501471
Product Description
Catalog Number:
AG00FFF1
Chemical Name:
4-Methylisothiazole
CAS Number:
693-90-3
Molecular Formula:
C4H5NS
Molecular Weight:
99.1542
MDL Number:
MFCD11501471
IUPAC Name:
4-methyl-1,2-thiazole
InChI:
InChI=1S/C4H5NS/c1-4-2-5-6-3-4/h2-3H,1H3
InChI Key:
YUTQRQJTFPEEPB-UHFFFAOYSA-N
SMILES:
Cc1csnc1
Properties
Complexity:
46.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.014g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
99.151g/mol
Monoisotopic Mass:
99.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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