sodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite

C7H6N2NaO3S2- — CID 174144794

IUPACsodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite
SMILESO=S([O-])Oc1ccc2[nH]c(=S)[nH]c2c1.[H-].[Na+]
InChIInChI=1S/C7H6N2O3S2.Na.H/c10-14(11)12-4-1-2-5-6(3-4)9-7(13)8-5;;/h1-3H,(H,10,11)(H2,8,9,13);;/q;+1;-1/p-1
InChIKeyHWUTYFAQFOHYKZ-UHFFFAOYSA-M
MW253.26 g/mol
LogP-1.49
Rot. Bonds2

About sodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite

sodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite (PubChem CID 174144794) has the molecular formula C7H6N2NaO3S2- and a molecular weight of 253.26 g/mol. Its IUPAC name is sodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite.

Molecular Properties

Compound Namesodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite
PubChem CID174144794
Molecular FormulaC7H6N2NaO3S2-
Molecular Weight253.26 g/mol
Exact Mass252.97
IUPAC Namesodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite
SMILESO=S([O-])Oc1ccc2[nH]c(=S)[nH]c2c1.[H-].[Na+]
InChIInChI=1S/C7H6N2O3S2.Na.H/c10-14(11)12-4-1-2-5-6(3-4)9-7(13)8-5;;/h1-3H,(H,10,11)(H2,8,9,13);;/q;+1;-1/p-1
InChIKeyHWUTYFAQFOHYKZ-UHFFFAOYSA-M
XLogP-1.49
TPSA80.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Methoxy-2-mercaptobenzimidazole
CID 665603
5-Ethoxy-2-mercaptobenzimidazole
CID 790793
5-(Difluoromethoxy)-1H-benzimidazole-2-thiol
CID 5064774
2H-Benzimidazol-2-one, 1,3-dihydro-5-hydroxy-
CID 13616640
4-Hydroxy-1H-benzo[d]imidazole-2(3H)-thione
CID 18967025
5-methoxy-3-(4-methoxyphenyl)-1H-benzimidazole-2-thione
CID 80458177
5-Hydroxy-1,3-dihydrobenzimidazole-2-thione
CID 14622487
5-Fluoro-6-methoxy-1H-benzimidazole-2-thiol
CID 14685756
2H-Benzimidazole-2-thione, 1,3-dihydro-5-(1,1,2,2-tetrafluoroethoxy)-
CID 15163467
2H-Benzimidazole-2-thione, 5-(difluoromethoxy)-6-fluoro-1,3-dihydro-
CID 15163469
5-[Chloro(difluoro)methoxy]-1,3-dihydrobenzimidazole-2-thione
CID 20131378
5-Trifluoromethoxy-1,3-dihydro-2H-benzimidazol-2-thione
CID 20131391

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite?
The IUPAC name of sodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite (CID 174144794) is sodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite.
What is the SMILES notation for sodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite?
The canonical SMILES for sodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite is O=S([O-])Oc1ccc2[nH]c(=S)[nH]c2c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite?
The InChIKey is HWUTYFAQFOHYKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6N2O3S2.Na.H/c10-14(11)12-4-1-2-5-6(3-4)9-7(13)8-5;;/h1-3H,(H,10,11)(H2,8,9,13);;/q;+1;-1/p-1.
What are the key properties of sodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite?
sodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite has a molecular weight of 253.26 g/mol, XLogP of -1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite is sourced from PubChem (CID 174144794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).