4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide

C15H15ClN2S — CID 63093373

IUPAC4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Sc1cc(C)ccc1C
InChIInChI=1S/C15H15ClN2S/c1-9-3-4-10(2)13(7-9)19-14-8-11(16)5-6-12(14)15(17)18/h3-8H,1-2H3,(H3,17,18)
InChIKeyXIOJXFHVRPDCOE-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.39
Rot. Bonds3

About 4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide

4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide (PubChem CID 63093373) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
PubChem CID63093373
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Sc1cc(C)ccc1C
InChIInChI=1S/C15H15ClN2S/c1-9-3-4-10(2)13(7-9)19-14-8-11(16)5-6-12(14)15(17)18/h3-8H,1-2H3,(H3,17,18)
InChIKeyXIOJXFHVRPDCOE-UHFFFAOYSA-N
XLogP4.39
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.39
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

2-(3-Chloro-4-fluorophenyl)sulfonyl-3-fluoro-4-methylbenzenecarboximidamide
CID 153819603
4-[(4-Chlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide
CID 28404133
4-[(2-Chlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide
CID 28404397
4-[(2,5-Dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide
CID 28555891
5-Chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide
CID 55078669
5-Chloro-2-(2,5-difluorophenyl)sulfanylbenzenecarboximidamide
CID 55078714
2-Chloro-4-(2-fluorophenyl)sulfanylbenzenecarboximidamide
CID 55152075
2-Chloro-4-(4-fluorophenyl)sulfanylbenzenecarboximidamide
CID 55152076
4-Chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide
CID 55180228
4-Chloro-2-(2,5-difluorophenyl)sulfanylbenzenecarboximidamide
CID 55180229
4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 55180231
2-(2-Chlorophenyl)sulfanyl-5-fluorobenzenecarboximidamide
CID 55234317

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide (CID 63093373) is 4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1Sc1cc(C)ccc1C.
What is the InChIKey of 4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is XIOJXFHVRPDCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c1-9-3-4-10(2)13(7-9)19-14-8-11(16)5-6-12(14)15(17)18/h3-8H,1-2H3,(H3,17,18).
What are the key properties of 4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide?
4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide has a molecular weight of 290.82 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 63093373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).