ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine

C10H15N3S — CID 156727544

IUPACethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine
SMILESCC.Cc1nc2ccc(SN)cc2[nH]1
InChIInChI=1S/C8H9N3S.C2H6/c1-5-10-7-3-2-6(12-9)4-8(7)11-5;1-2/h2-4H,9H2,1H3,(H,10,11);1-2H3
InChIKeyMVMNKAPXVRGBLS-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.86
Rot. Bonds1

About ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine

ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine (PubChem CID 156727544) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine.

Molecular Properties

Compound Nameethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine
PubChem CID156727544
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Nameethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine
SMILESCC.Cc1nc2ccc(SN)cc2[nH]1
InChIInChI=1S/C8H9N3S.C2H6/c1-5-10-7-3-2-6(12-9)4-8(7)11-5;1-2/h2-4H,9H2,1H3,(H,10,11);1-2H3
InChIKeyMVMNKAPXVRGBLS-UHFFFAOYSA-N
XLogP2.86
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole
CID 170127062
3-[(2-methyl-3H-benzimidazol-5-yl)sulfanyl]propanoic acid
CID 116852883
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole
CID 71321593
2-methyl-3H-benzimidazole-5-thiol
CID 43154899
6-aminosulfanyl-1H-benzimidazole-2-sulfinic acid;toluene
CID 144728341
2,2-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)sulfanyl]propanoic acid
CID 116853054
ethane;2-methyl-1H-benzimidazole;molecular hydrogen
CID 166167875
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
2,2-dibromo-1-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 116827124
ethane;2-methyl-6-nitro-1H-benzimidazole
CID 90798805
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369

Frequently Asked Questions

What is the IUPAC name of ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine?
The IUPAC name of ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine (CID 156727544) is ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine.
What is the SMILES notation for ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine?
The canonical SMILES for ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine is CC.Cc1nc2ccc(SN)cc2[nH]1.
What is the InChIKey of ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine?
The InChIKey is MVMNKAPXVRGBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S.C2H6/c1-5-10-7-3-2-6(12-9)4-8(7)11-5;1-2/h2-4H,9H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine?
ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine has a molecular weight of 209.32 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine is sourced from PubChem (CID 156727544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).