4-[(3-chlorophenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide

C15H15ClN2S — CID 114484179

IUPAC4-[(3-chlorophenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CSc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C15H15ClN2S/c1-10-7-11(15(17)18)5-6-12(10)9-19-14-4-2-3-13(16)8-14/h2-8H,9H2,1H3,(H3,17,18)
InChIKeySNOVDEMOLHQMFM-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.22
Rot. Bonds4

About 4-[(3-chlorophenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide

4-[(3-chlorophenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide (PubChem CID 114484179) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-chlorophenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide
PubChem CID114484179
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name4-[(3-chlorophenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CSc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C15H15ClN2S/c1-10-7-11(15(17)18)5-6-12(10)9-19-14-4-2-3-13(16)8-14/h2-8H,9H2,1H3,(H3,17,18)
InChIKeySNOVDEMOLHQMFM-UHFFFAOYSA-N
XLogP4.22
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[(3-fluorophenyl)sulfanylmethyl]benzenecarboximidamide
CID 102668596
3-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 114484173
4-(tert-butylsulfanylmethyl)-3-methylbenzenecarboximidamide
CID 114484149
4-[(2-methylphenyl)methylsulfanyl]benzenecarboximidamide
CID 55113355
3-methyl-4-(propan-2-ylsulfanylmethyl)benzenecarboximidamide
CID 114484167
4-[(2-methoxyphenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide
CID 114484171
4-[(4-chloro-2-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483691
4-[(3,4-difluorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide
CID 43345183
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
3-methyl-4-(oxetan-3-ylsulfanylmethyl)benzenecarboximidamide
CID 114484205
3-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)benzenecarboximidamide
CID 102668545
3-chloro-4-[(3-chlorophenyl)sulfanylmethyl]benzoic acid
CID 102670308

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(3-chlorophenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide (CID 114484179) is 4-[(3-chlorophenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(3-chlorophenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(3-chlorophenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CSc2cccc(Cl)c2)c(C)c1.
What is the InChIKey of 4-[(3-chlorophenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide?
The InChIKey is SNOVDEMOLHQMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c1-10-7-11(15(17)18)5-6-12(10)9-19-14-4-2-3-13(16)8-14/h2-8H,9H2,1H3,(H3,17,18).
What are the key properties of 4-[(3-chlorophenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide?
4-[(3-chlorophenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide has a molecular weight of 290.82 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114484179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).