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879325-89-0 | Benzenesulfonic acid, 4-[[(propylamino)thioxomethyl]amino]-
CAS No: 879325-89-0 Catalog No: AG004GSP MDL No:
Product Description
Catalog Number:
AG004GSP
Chemical Name:
Benzenesulfonic acid, 4-[[(propylamino)thioxomethyl]amino]-
CAS Number:
879325-89-0
Molecular Formula:
C10H14N2O3S2
Molecular Weight:
274.3598
IUPAC Name:
4-(propylcarbamothioylamino)benzenesulfonic acid
InChI:
InChI=1S/C10H14N2O3S2/c1-2-7-11-10(16)12-8-3-5-9(6-4-8)17(13,14)15/h3-6H,2,7H2,1H3,(H2,11,12,16)(H,13,14,15)
InChI Key:
DAJBFZOCCBVORM-UHFFFAOYSA-N
SMILES:
CCCNC(=S)Nc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
274.353g/mol
Monoisotopic Mass:
274.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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