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114179-91-8 | Thiazole, 4-ethyl-4,5-dihydro-2-methyl-, (S)- (9CI)
CAS No: 114179-91-8 Catalog No: AG000AQB MDL No:
Product Description
Catalog Number:
AG000AQB
Chemical Name:
Thiazole, 4-ethyl-4,5-dihydro-2-methyl-, (S)- (9CI)
CAS Number:
114179-91-8
Molecular Formula:
C6H11NS
Molecular Weight:
129.2232
IUPAC Name:
4-ethyl-2-methyl-4,5-dihydro-1,3-thiazole
InChI:
InChI=1S/C6H11NS/c1-3-6-4-8-5(2)7-6/h6H,3-4H2,1-2H3
InChI Key:
LENVRVUQOXYSDH-UHFFFAOYSA-N
SMILES:
CC[C@H]1CSC(=N1)C
EC Number:
224-297-3
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.061g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.221g/mol
Monoisotopic Mass:
129.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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