(5-chloro-2-sulfanylphenyl)azanium chloride

C6H7Cl2NS — CID 11999

IUPAC(5-chloro-2-sulfanylphenyl)azanium chloride
SMILES[Cl-].[NH3+]c1cc(Cl)ccc1S
InChIInChI=1S/C6H6ClNS.ClH/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H,8H2;1H
InChIKeyPJKZHTVMXNCMJV-UHFFFAOYSA-N
MW196.10 g/mol
LogP-1.49
Rot. Bonds

About (5-chloro-2-sulfanylphenyl)azanium chloride

(5-chloro-2-sulfanylphenyl)azanium chloride (PubChem CID 11999) has the molecular formula C6H7Cl2NS and a molecular weight of 196.10 g/mol. Its IUPAC name is (5-chloro-2-sulfanylphenyl)azanium chloride.

Molecular Properties

Compound Name(5-chloro-2-sulfanylphenyl)azanium chloride
PubChem CID11999
Molecular FormulaC6H7Cl2NS
Molecular Weight196.10 g/mol
Exact Mass194.97
IUPAC Name(5-chloro-2-sulfanylphenyl)azanium chloride
SMILES[Cl-].[NH3+]c1cc(Cl)ccc1S
InChIInChI=1S/C6H6ClNS.ClH/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H,8H2;1H
InChIKeyPJKZHTVMXNCMJV-UHFFFAOYSA-N
XLogP-1.49
TPSA27.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-sulfanylphenyl)azanium chloride?
The IUPAC name of (5-chloro-2-sulfanylphenyl)azanium chloride (CID 11999) is (5-chloro-2-sulfanylphenyl)azanium chloride.
What is the SMILES notation for (5-chloro-2-sulfanylphenyl)azanium chloride?
The canonical SMILES for (5-chloro-2-sulfanylphenyl)azanium chloride is [Cl-].[NH3+]c1cc(Cl)ccc1S.
What is the InChIKey of (5-chloro-2-sulfanylphenyl)azanium chloride?
The InChIKey is PJKZHTVMXNCMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNS.ClH/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H,8H2;1H.
What are the key properties of (5-chloro-2-sulfanylphenyl)azanium chloride?
(5-chloro-2-sulfanylphenyl)azanium chloride has a molecular weight of 196.10 g/mol, XLogP of -1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-sulfanylphenyl)azanium chloride is sourced from PubChem (CID 11999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).