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6670-14-0 | 4,5-dimethyl-3H-1,3-oxazole-2-thione
CAS No: 6670-14-0 Catalog No: AG00FPKJ MDL No:MFCD09040432
Product Description
Catalog Number:
AG00FPKJ
Chemical Name:
4,5-dimethyl-3H-1,3-oxazole-2-thione
CAS Number:
6670-14-0
Molecular Formula:
C5H7NOS
Molecular Weight:
129.1802
MDL Number:
MFCD09040432
IUPAC Name:
4,5-dimethyl-3H-1,3-oxazole-2-thione
InChI:
InChI=1S/C5H7NOS/c1-3-4(2)7-5(8)6-3/h1-2H3,(H,6,8)
InChI Key:
XEJIHKUDPINBCS-UHFFFAOYSA-N
SMILES:
Sc1oc(c(n1)C)C
NSC Number:
129747
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.025g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.177g/mol
Monoisotopic Mass:
129.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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