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120945-07-5 | 2H,3H,4H,5H,6H,7H-cyclopenta[b][1,4]thiazin-3-one
CAS No: 120945-07-5 Catalog No: AG00KBFR MDL No:MFCD12827909
Product Description
Catalog Number:
AG00KBFR
Chemical Name:
2H,3H,4H,5H,6H,7H-cyclopenta[b][1,4]thiazin-3-one
CAS Number:
120945-07-5
Molecular Formula:
C7H9NOS
Molecular Weight:
155.2175
MDL Number:
MFCD12827909
IUPAC Name:
4,5,6,7-tetrahydrocyclopenta[b][1,4]thiazin-3-one
InChI:
InChI=1S/C7H9NOS/c9-7-4-10-6-3-1-2-5(6)8-7/h1-4H2,(H,8,9)
InChI Key:
HNFSPLCNWAIWDT-UHFFFAOYSA-N
SMILES:
O=C1CSC2=C(N1)CCC2
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:
0.7
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