benzenecarboximidamide;trimethylsulfanium;chloride

C10H17ClN2S — CID 158339380

IUPACbenzenecarboximidamide;trimethylsulfanium;chloride
SMILESC[S+](C)C.[Cl-].[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C7H8N2.C3H9S.ClH/c8-7(9)6-4-2-1-3-5-6;1-4(2)3;/h1-5H,(H3,8,9);1-3H3;1H/q;+1;/p-1
InChIKeyFPDGGGLICVADQQ-UHFFFAOYSA-M
MW232.78 g/mol
LogP-1.53
Rot. Bonds1

About benzenecarboximidamide;trimethylsulfanium;chloride

benzenecarboximidamide;trimethylsulfanium;chloride (PubChem CID 158339380) has the molecular formula C10H17ClN2S and a molecular weight of 232.78 g/mol. Its IUPAC name is benzenecarboximidamide;trimethylsulfanium;chloride.

Molecular Properties

Compound Namebenzenecarboximidamide;trimethylsulfanium;chloride
PubChem CID158339380
Molecular FormulaC10H17ClN2S
Molecular Weight232.78 g/mol
Exact Mass232.08
IUPAC Namebenzenecarboximidamide;trimethylsulfanium;chloride
SMILESC[S+](C)C.[Cl-].[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C7H8N2.C3H9S.ClH/c8-7(9)6-4-2-1-3-5-6;1-4(2)3;/h1-5H,(H3,8,9);1-3H3;1H/q;+1;/p-1
InChIKeyFPDGGGLICVADQQ-UHFFFAOYSA-M
XLogP-1.53
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Benzamidine, hydrochloride
CID 80289
Benzamidine
CID 2332
Stilbamidine
CID 5351747
Benzamidine HCl hydrate
CID 16219042
4-Methylbenzene-1-carboximidamide hydrochloride
CID 122753
Benzamidinium chloride
CID 444655
4-Aminomethyl benzamidine dihydrochloride
CID 2756473
4-(Aminomethyl)benzenecarboximidamide
CID 2756474
4,4'-(Ethene-1,2-diyl)di(benzene-1-carboximidamide)
CID 8811
N,N-Dimethylbenzenecarboximidamide--hydrogen chloride (1/1)
CID 361539
3-Fluoro-4-Methylbenzenecarboximidamide
CID 2737377
Terephthalamidine dihydrochloride
CID 2747969

Frequently Asked Questions

What is the IUPAC name of benzenecarboximidamide;trimethylsulfanium;chloride?
The IUPAC name of benzenecarboximidamide;trimethylsulfanium;chloride (CID 158339380) is benzenecarboximidamide;trimethylsulfanium;chloride.
What is the SMILES notation for benzenecarboximidamide;trimethylsulfanium;chloride?
The canonical SMILES for benzenecarboximidamide;trimethylsulfanium;chloride is C[S+](C)C.[Cl-].[H]/N=C(\N)c1ccccc1.
What is the InChIKey of benzenecarboximidamide;trimethylsulfanium;chloride?
The InChIKey is FPDGGGLICVADQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8N2.C3H9S.ClH/c8-7(9)6-4-2-1-3-5-6;1-4(2)3;/h1-5H,(H3,8,9);1-3H3;1H/q;+1;/p-1.
What are the key properties of benzenecarboximidamide;trimethylsulfanium;chloride?
benzenecarboximidamide;trimethylsulfanium;chloride has a molecular weight of 232.78 g/mol, XLogP of -1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboximidamide;trimethylsulfanium;chloride is sourced from PubChem (CID 158339380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).