2-aminosulfanyl-3-chloro-6-methylphenol

C7H8ClNOS — CID 89324231

IUPAC2-aminosulfanyl-3-chloro-6-methylphenol
SMILESCc1ccc(Cl)c(SN)c1O
InChIInChI=1S/C7H8ClNOS/c1-4-2-3-5(8)7(11-9)6(4)10/h2-3,10H,9H2,1H3
InChIKeyIEHKKXSQXHOFSK-UHFFFAOYSA-N
MW189.67 g/mol
LogP2.32
Rot. Bonds1

About 2-aminosulfanyl-3-chloro-6-methylphenol

2-aminosulfanyl-3-chloro-6-methylphenol (PubChem CID 89324231) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is 2-aminosulfanyl-3-chloro-6-methylphenol.

Molecular Properties

Compound Name2-aminosulfanyl-3-chloro-6-methylphenol
PubChem CID89324231
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC Name2-aminosulfanyl-3-chloro-6-methylphenol
SMILESCc1ccc(Cl)c(SN)c1O
InChIInChI=1S/C7H8ClNOS/c1-4-2-3-5(8)7(11-9)6(4)10/h2-3,10H,9H2,1H3
InChIKeyIEHKKXSQXHOFSK-UHFFFAOYSA-N
XLogP2.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminosulfanyl-3-chloro-6-methylphenol?
The IUPAC name of 2-aminosulfanyl-3-chloro-6-methylphenol (CID 89324231) is 2-aminosulfanyl-3-chloro-6-methylphenol.
What is the SMILES notation for 2-aminosulfanyl-3-chloro-6-methylphenol?
The canonical SMILES for 2-aminosulfanyl-3-chloro-6-methylphenol is Cc1ccc(Cl)c(SN)c1O.
What is the InChIKey of 2-aminosulfanyl-3-chloro-6-methylphenol?
The InChIKey is IEHKKXSQXHOFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS/c1-4-2-3-5(8)7(11-9)6(4)10/h2-3,10H,9H2,1H3.
What are the key properties of 2-aminosulfanyl-3-chloro-6-methylphenol?
2-aminosulfanyl-3-chloro-6-methylphenol has a molecular weight of 189.67 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminosulfanyl-3-chloro-6-methylphenol is sourced from PubChem (CID 89324231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).