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21494-64-4 | 4-Thiazolidinone,3-butyl-2-thioxo-
CAS No: 21494-64-4 Catalog No: AG00711X MDL No:MFCD01684737
Product Description
Catalog Number:
AG00711X
Chemical Name:
4-Thiazolidinone,3-butyl-2-thioxo-
CAS Number:
21494-64-4
Molecular Formula:
C7H11NOS2
Molecular Weight:
189.2983
MDL Number:
MFCD01684737
IUPAC Name:
3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C7H11NOS2/c1-2-3-4-8-6(9)5-11-7(8)10/h2-5H2,1H3
InChI Key:
UTUUGODMVOQPEQ-UHFFFAOYSA-N
SMILES:
CCCCN1C(=S)SCC1=O
EC Number:
244-408-9
UNII:
GI41CBY895
NSC Number:
190633
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.028g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.291g/mol
Monoisotopic Mass:
189.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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