methyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride

C10H11ClN2S2 — CID 122182169

IUPACmethyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride
SMILESCSC(=S)n1c(C)nc2ccccc21.Cl
InChIInChI=1S/C10H10N2S2.ClH/c1-7-11-8-5-3-4-6-9(8)12(7)10(13)14-2;/h3-6H,1-2H3;1H
InChIKeyGASDUSVDQUJYAU-UHFFFAOYSA-N
MW258.80 g/mol
LogP3.26
Rot. Bonds

About methyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride

methyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride (PubChem CID 122182169) has the molecular formula C10H11ClN2S2 and a molecular weight of 258.80 g/mol. Its IUPAC name is methyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride
PubChem CID122182169
Molecular FormulaC10H11ClN2S2
Molecular Weight258.80 g/mol
Exact Mass258.01
IUPAC Namemethyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride
SMILESCSC(=S)n1c(C)nc2ccccc21.Cl
InChIInChI=1S/C10H10N2S2.ClH/c1-7-11-8-5-3-4-6-9(8)12(7)10(13)14-2;/h3-6H,1-2H3;1H
InChIKeyGASDUSVDQUJYAU-UHFFFAOYSA-N
XLogP3.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.80
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride?
The IUPAC name of methyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride (CID 122182169) is methyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride.
What is the SMILES notation for methyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride?
The canonical SMILES for methyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride is CSC(=S)n1c(C)nc2ccccc21.Cl.
What is the InChIKey of methyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride?
The InChIKey is GASDUSVDQUJYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S2.ClH/c1-7-11-8-5-3-4-6-9(8)12(7)10(13)14-2;/h3-6H,1-2H3;1H.
What are the key properties of methyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride?
methyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride has a molecular weight of 258.80 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride is sourced from PubChem (CID 122182169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).