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Home > Thiazole > 1211513-13-1
1211513-13-1 | 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethan-1-one
CAS No: 1211513-13-1 Catalog No: AG01A3BC MDL No:MFCD18343967
Product Description
Catalog Number:
AG01A3BC
Chemical Name:
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethan-1-one
CAS Number:
1211513-13-1
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
MDL Number:
MFCD18343967
IUPAC Name:
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanone
InChI:
InChI=1S/C9H11NOS/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h2-5H2,1H3
InChI Key:
LGDFWZGIPTYALJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1nc2c(s1)CCCC2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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