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729561-79-9 | 1-butyl-N,N-diethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CAS No: 729561-79-9 Catalog No: AG019HYZ MDL No:MFCD03968029
Product Description
Catalog Number:
AG019HYZ
Chemical Name:
1-butyl-N,N-diethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CAS Number:
729561-79-9
Molecular Formula:
C15H23N3O2S2
Molecular Weight:
341.4920
MDL Number:
MFCD03968029
IUPAC Name:
1-butyl-N,N-diethyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide
InChI:
InChI=1S/C15H23N3O2S2/c1-4-7-10-18-14-9-8-12(11-13(14)16-15(18)21)22(19,20)17(5-2)6-3/h8-9,11H,4-7,10H2,1-3H3,(H,16,21)
InChI Key:
SMBWNZYCXGVIGS-UHFFFAOYSA-N
SMILES:
CCCCn1c(S)nc2c1ccc(c2)S(=O)(=O)N(CC)CC
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.123g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.488g/mol
Monoisotopic Mass:
341.123g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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