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113418-21-6 | Urea, N-cyclopentyl-N'-1,2,3-thiadiazol-5-yl-
CAS No: 113418-21-6 Catalog No: AG0008IV MDL No:
Product Description
Catalog Number:
AG0008IV
Chemical Name:
Urea, N-cyclopentyl-N'-1,2,3-thiadiazol-5-yl-
CAS Number:
113418-21-6
Molecular Formula:
C8H12N4OS
Molecular Weight:
212.2721
IUPAC Name:
1-cyclopentyl-3-(thiadiazol-5-yl)urea
InChI:
InChI=1S/C8H12N4OS/c13-8(10-6-3-1-2-4-6)11-7-5-9-12-14-7/h5-6H,1-4H2,(H2,10,11,13)
InChI Key:
FODIVVURWOHVFR-UHFFFAOYSA-N
SMILES:
O=C(Nc1cnns1)NC1CCCC1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.271g/mol
Monoisotopic Mass:
212.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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