(2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)arsonic acid

C7H7AsN2O3S — CID 154170390

IUPAC(2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)arsonic acid
SMILESO=[As](O)(O)c1cccc2[nH]c(=S)[nH]c12
InChIInChI=1S/C7H7AsN2O3S/c11-8(12,13)4-2-1-3-5-6(4)10-7(14)9-5/h1-3H,(H2,9,10,14)(H2,11,12,13)
InChIKeyHVUCGUHEWHBVMH-UHFFFAOYSA-N
MW274.13 g/mol
LogP-0.21
Rot. Bonds1

About (2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)arsonic acid

(2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)arsonic acid (PubChem CID 154170390) has the molecular formula C7H7AsN2O3S and a molecular weight of 274.13 g/mol. Its IUPAC name is (2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)arsonic acid.

Molecular Properties

Compound Name(2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)arsonic acid
PubChem CID154170390
Molecular FormulaC7H7AsN2O3S
Molecular Weight274.13 g/mol
Exact Mass273.94
IUPAC Name(2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)arsonic acid
SMILESO=[As](O)(O)c1cccc2[nH]c(=S)[nH]c12
InChIInChI=1S/C7H7AsN2O3S/c11-8(12,13)4-2-1-3-5-6(4)10-7(14)9-5/h1-3H,(H2,9,10,14)(H2,11,12,13)
InChIKeyHVUCGUHEWHBVMH-UHFFFAOYSA-N
XLogP-0.21
TPSA89.11 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)arsonic acid?
The IUPAC name of (2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)arsonic acid (CID 154170390) is (2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)arsonic acid.
What is the SMILES notation for (2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)arsonic acid?
The canonical SMILES for (2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)arsonic acid is O=[As](O)(O)c1cccc2[nH]c(=S)[nH]c12.
What is the InChIKey of (2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)arsonic acid?
The InChIKey is HVUCGUHEWHBVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7AsN2O3S/c11-8(12,13)4-2-1-3-5-6(4)10-7(14)9-5/h1-3H,(H2,9,10,14)(H2,11,12,13).
What are the key properties of (2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)arsonic acid?
(2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)arsonic acid has a molecular weight of 274.13 g/mol, XLogP of -0.21, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)arsonic acid is sourced from PubChem (CID 154170390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).