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57001-18-0 | 2H,3H,4H,5H,6H-cyclopenta[d][1,3]thiazol-2-one
CAS No: 57001-18-0 Catalog No: AG01AAQM MDL No:MFCD11632169
Product Description
Catalog Number:
AG01AAQM
Chemical Name:
2H,3H,4H,5H,6H-cyclopenta[d][1,3]thiazol-2-one
CAS Number:
57001-18-0
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
MDL Number:
MFCD11632169
IUPAC Name:
3,4,5,6-tetrahydrocyclopenta[d][1,3]thiazol-2-one
InChI:
InChI=1S/C6H7NOS/c8-6-7-4-2-1-3-5(4)9-6/h1-3H2,(H,7,8)
InChI Key:
MPBAFCASVITYMO-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(s1)CCC2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.188g/mol
Monoisotopic Mass:
141.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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