5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide

C14H12Cl2N2S — CID 114790495

IUPAC5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1SCc1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N2S/c15-10-3-1-9(2-4-10)8-19-13-6-5-11(16)7-12(13)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyUMHMGWXEPFKQEJ-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.57
Rot. Bonds4

About 5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide

5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide (PubChem CID 114790495) has the molecular formula C14H12Cl2N2S and a molecular weight of 311.24 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
PubChem CID114790495
Molecular FormulaC14H12Cl2N2S
Molecular Weight311.24 g/mol
Exact Mass310.01
IUPAC Name5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1SCc1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N2S/c15-10-3-1-9(2-4-10)8-19-13-6-5-11(16)7-12(13)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyUMHMGWXEPFKQEJ-UHFFFAOYSA-N
XLogP4.57
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.57
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

5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 103288569
3-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114790503
2-tert-butylsulfanyl-5-chlorobenzenecarboximidamide
CID 62494946
4-[(4-chlorophenyl)methylsulfanyl]-3,5-difluorobenzenecarboximidamide
CID 114790509
2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114884449
4-[(4-chlorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791862
2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide
CID 62494952
5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978649
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide
CID 62494094
5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide
CID 82004072
5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 62495109

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide (CID 114790495) is 5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1SCc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide?
The InChIKey is UMHMGWXEPFKQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2S/c15-10-3-1-9(2-4-10)8-19-13-6-5-11(16)7-12(13)14(17)18/h1-7H,8H2,(H3,17,18).
What are the key properties of 5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide?
5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide has a molecular weight of 311.24 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide is sourced from PubChem (CID 114790495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).