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

C15H15ClN2S — CID 63087256

IUPAC3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2cc(C)ccc2C)c(Cl)c1
InChIInChI=1S/C15H15ClN2S/c1-9-3-4-10(2)14(7-9)19-13-6-5-11(15(17)18)8-12(13)16/h3-8H,1-2H3,(H3,17,18)
InChIKeyFOUSRMGQDQIVLL-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.39
Rot. Bonds3

About 3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide

3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide (PubChem CID 63087256) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
PubChem CID63087256
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2cc(C)ccc2C)c(Cl)c1
InChIInChI=1S/C15H15ClN2S/c1-9-3-4-10(2)14(7-9)19-13-6-5-11(15(17)18)8-12(13)16/h3-8H,1-2H3,(H3,17,18)
InChIKeyFOUSRMGQDQIVLL-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

3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide
CID 55223593
4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
CID 63093373
5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
CID 114893614
1-[3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]ethanamine
CID 63532150
[3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine
CID 63404960
3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide
CID 63087084
3-chloro-4-(2-methylbutylsulfanyl)benzenecarboximidamide
CID 107750100
3-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114790503
3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide
CID 107657141
3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide
CID 63087416
3-chloro-4-(cyclopentylmethylsulfanyl)benzenecarboximidamide
CID 55176767
4-[(2-chloro-5-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483760

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide (CID 63087256) is 3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Sc2cc(C)ccc2C)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is FOUSRMGQDQIVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c1-9-3-4-10(2)14(7-9)19-13-6-5-11(15(17)18)8-12(13)16/h3-8H,1-2H3,(H3,17,18).
What are the key properties of 3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide?
3-chloro-4-(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 3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 63087256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).