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

C14H12Cl2N2S — CID 103288569

IUPAC5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1SCc1ccccc1Cl
InChIInChI=1S/C14H12Cl2N2S/c15-10-5-6-13(11(7-10)14(17)18)19-8-9-3-1-2-4-12(9)16/h1-7H,8H2,(H3,17,18)
InChIKeyRXAYRRIROLQYCP-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.57
Rot. Bonds4

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

5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide (PubChem CID 103288569) has the molecular formula C14H12Cl2N2S and a molecular weight of 311.24 g/mol. Its IUPAC name is 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide
PubChem CID103288569
Molecular FormulaC14H12Cl2N2S
Molecular Weight311.24 g/mol
Exact Mass310.01
IUPAC Name5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1SCc1ccccc1Cl
InChIInChI=1S/C14H12Cl2N2S/c15-10-5-6-13(11(7-10)14(17)18)19-8-9-3-1-2-4-12(9)16/h1-7H,8H2,(H3,17,18)
InChIKeyRXAYRRIROLQYCP-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-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114790495
5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide
CID 103288502
2-tert-butylsulfanyl-5-chlorobenzenecarboximidamide
CID 62494946
[5-chloro-2-[(2-chlorophenyl)methylsulfanyl]phenyl]methanol
CID 103290841
2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide
CID 62494952
5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 62495109
3-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114790503
2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide
CID 103288606
1-[5-chloro-2-[(2-chlorophenyl)methylsulfanyl]phenyl]butan-2-amine
CID 103290913
4-chloro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 66104275
2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide
CID 22416542
4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde
CID 103290707

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide?
The IUPAC name of 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide (CID 103288569) is 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1SCc1ccccc1Cl.
What is the InChIKey of 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide?
The InChIKey is RXAYRRIROLQYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2S/c15-10-5-6-13(11(7-10)14(17)18)19-8-9-3-1-2-4-12(9)16/h1-7H,8H2,(H3,17,18).
What are the key properties of 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide?
5-chloro-2-[(2-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-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide is sourced from PubChem (CID 103288569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).