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57001-13-5 | 2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one
CAS No: 57001-13-5 Catalog No: AG01A8RK MDL No:MFCD11632173
Product Description
Catalog Number:
AG01A8RK
Chemical Name:
2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one
CAS Number:
57001-13-5
Molecular Formula:
C7H9NOS
Molecular Weight:
155.2175
MDL Number:
MFCD11632173
IUPAC Name:
4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C7H9NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H2,(H,8,9)
InChI Key:
KCDMCROFMWMVBV-UHFFFAOYSA-N
SMILES:
O=c1sc2c([nH]1)CCCC2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.215g/mol
Monoisotopic Mass:
155.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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