2-[(2-chloro-6-methylphenyl)methylsulfanyl]ethanamine

C10H14ClNS — CID 142935929

IUPAC2-[(2-chloro-6-methylphenyl)methylsulfanyl]ethanamine
SMILESCc1cccc(Cl)c1CSCCN
InChIInChI=1S/C10H14ClNS/c1-8-3-2-4-10(11)9(8)7-13-6-5-12/h2-4H,5-7,12H2,1H3
InChIKeySGSDQGWRRXALJW-UHFFFAOYSA-N
MW215.75 g/mol
LogP2.84
Rot. Bonds4

About 2-[(2-chloro-6-methylphenyl)methylsulfanyl]ethanamine

2-[(2-chloro-6-methylphenyl)methylsulfanyl]ethanamine (PubChem CID 142935929) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylphenyl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(2-chloro-6-methylphenyl)methylsulfanyl]ethanamine
PubChem CID142935929
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name2-[(2-chloro-6-methylphenyl)methylsulfanyl]ethanamine
SMILESCc1cccc(Cl)c1CSCCN
InChIInChI=1S/C10H14ClNS/c1-8-3-2-4-10(11)9(8)7-13-6-5-12/h2-4H,5-7,12H2,1H3
InChIKeySGSDQGWRRXALJW-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylphenyl)methylsulfanyl]ethanamine?
The IUPAC name of 2-[(2-chloro-6-methylphenyl)methylsulfanyl]ethanamine (CID 142935929) is 2-[(2-chloro-6-methylphenyl)methylsulfanyl]ethanamine.
What is the SMILES notation for 2-[(2-chloro-6-methylphenyl)methylsulfanyl]ethanamine?
The canonical SMILES for 2-[(2-chloro-6-methylphenyl)methylsulfanyl]ethanamine is Cc1cccc(Cl)c1CSCCN.
What is the InChIKey of 2-[(2-chloro-6-methylphenyl)methylsulfanyl]ethanamine?
The InChIKey is SGSDQGWRRXALJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-8-3-2-4-10(11)9(8)7-13-6-5-12/h2-4H,5-7,12H2,1H3.
What are the key properties of 2-[(2-chloro-6-methylphenyl)methylsulfanyl]ethanamine?
2-[(2-chloro-6-methylphenyl)methylsulfanyl]ethanamine has a molecular weight of 215.75 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylphenyl)methylsulfanyl]ethanamine is sourced from PubChem (CID 142935929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).