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70638-09-4 | 2H-1,4-Thiazin-3(4H)-one, 4-(1-methylethyl)-
CAS No: 70638-09-4 Catalog No: AG0066KP MDL No:
Product Description
Catalog Number:
AG0066KP
Chemical Name:
2H-1,4-Thiazin-3(4H)-one, 4-(1-methylethyl)-
CAS Number:
70638-09-4
Molecular Formula:
C7H11NOS
Molecular Weight:
157.2333
IUPAC Name:
4-propan-2-yl-1,4-thiazin-3-one
InChI:
InChI=1S/C7H11NOS/c1-6(2)8-3-4-10-5-7(8)9/h3-4,6H,5H2,1-2H3
InChI Key:
IGAJGQFFRPDEGU-UHFFFAOYSA-N
SMILES:
CC(N1C=CSCC1=O)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.231g/mol
Monoisotopic Mass:
157.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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