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380347-73-9 | 1-butyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CAS No: 380347-73-9 Catalog No: AG019HBE MDL No:MFCD03042007
Product Description
Catalog Number:
AG019HBE
Chemical Name:
1-butyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CAS Number:
380347-73-9
Molecular Formula:
C11H15N3O2S2
Molecular Weight:
285.3857
MDL Number:
MFCD03042007
IUPAC Name:
1-butyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide
InChI:
InChI=1S/C11H15N3O2S2/c1-2-3-6-14-10-5-4-8(18(12,15)16)7-9(10)13-11(14)17/h4-5,7H,2-3,6H2,1H3,(H,13,17)(H2,12,15,16)
InChI Key:
XHNJALKHVCVBOV-UHFFFAOYSA-N
SMILES:
CCCCn1c(S)nc2c1ccc(c2)S(=O)(=O)N
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.38g/mol
Monoisotopic Mass:
285.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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