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26558-07-6 | 1H-Benzimidazole-4,7-dione, 5,6-bis[(2-hydroxyethyl)thio]-
CAS No: 26558-07-6 Catalog No: AG002TP6 MDL No:
Product Description
Catalog Number:
AG002TP6
Chemical Name:
1H-Benzimidazole-4,7-dione, 5,6-bis[(2-hydroxyethyl)thio]-
CAS Number:
26558-07-6
Molecular Formula:
C11H12N2O4S2
Molecular Weight:
300.3540
IUPAC Name:
5,6-bis(2-hydroxyethylsulfanyl)-1H-benzimidazole-4,7-dione
InChI:
InChI=1S/C11H12N2O4S2/c14-1-3-18-10-8(16)6-7(13-5-12-6)9(17)11(10)19-4-2-15/h5,14-15H,1-4H2,(H,12,13)
InChI Key:
CJVWPQABKJLKAK-UHFFFAOYSA-N
SMILES:
OCCSC1=C(SCCO)C(=O)c2c(C1=O)[nH]cn2
UNII:
2MWX290CW0
NSC Number:
101612
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.024g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.347g/mol
Monoisotopic Mass:
300.024g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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