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39137-09-2 | 3-Cyclopropyl-2-thioxo-thiazolidin-4-one
CAS No: 39137-09-2 Catalog No: AG00JOYB MDL No:
Product Description
Catalog Number:
AG00JOYB
Chemical Name:
3-Cyclopropyl-2-thioxo-thiazolidin-4-one
CAS Number:
39137-09-2
Molecular Formula:
C6H7NOS2
Molecular Weight:
173.2559
IUPAC Name:
3-cyclopropyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C6H7NOS2/c8-5-3-10-6(9)7(5)4-1-2-4/h4H,1-3H2
InChI Key:
PMLQWOAKIIYLMU-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1C1CC1
NSC Number:
270109
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.997g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.248g/mol
Monoisotopic Mass:
172.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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