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6322-59-4 | 3-cyclohexyl-2-sulfanylidene-thiazolidin-4-one
CAS No: 6322-59-4 Catalog No: AG00EJ68 MDL No:MFCD00086928
Product Description
Catalog Number:
AG00EJ68
Chemical Name:
3-cyclohexyl-2-sulfanylidene-thiazolidin-4-one
CAS Number:
6322-59-4
Molecular Formula:
C9H13NOS2
Molecular Weight:
215.3356
MDL Number:
MFCD00086928
IUPAC Name:
3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C9H13NOS2/c11-8-6-13-9(12)10(8)7-4-2-1-3-5-7/h7H,1-6H2
InChI Key:
BXVOWLRQAIOPFZ-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1C1CCCCC1
NSC Number:
32118
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.329g/mol
Monoisotopic Mass:
215.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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