chloro-(2-ethylsulfanylphenyl)methanamine

C9H12ClNS — CID 174741765

IUPACchloro-(2-ethylsulfanylphenyl)methanamine
SMILESCCSc1ccccc1C(N)Cl
InChIInChI=1S/C9H12ClNS/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6,9H,2,11H2,1H3
InChIKeyUTBAQZZBWVGFNS-UHFFFAOYSA-N
MW201.72 g/mol
LogP2.99
Rot. Bonds3

About chloro-(2-ethylsulfanylphenyl)methanamine

chloro-(2-ethylsulfanylphenyl)methanamine (PubChem CID 174741765) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is chloro-(2-ethylsulfanylphenyl)methanamine.

Molecular Properties

Compound Namechloro-(2-ethylsulfanylphenyl)methanamine
PubChem CID174741765
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Namechloro-(2-ethylsulfanylphenyl)methanamine
SMILESCCSc1ccccc1C(N)Cl
InChIInChI=1S/C9H12ClNS/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6,9H,2,11H2,1H3
InChIKeyUTBAQZZBWVGFNS-UHFFFAOYSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-(2-ethylsulfanylphenyl)methanamine?
The IUPAC name of chloro-(2-ethylsulfanylphenyl)methanamine (CID 174741765) is chloro-(2-ethylsulfanylphenyl)methanamine.
What is the SMILES notation for chloro-(2-ethylsulfanylphenyl)methanamine?
The canonical SMILES for chloro-(2-ethylsulfanylphenyl)methanamine is CCSc1ccccc1C(N)Cl.
What is the InChIKey of chloro-(2-ethylsulfanylphenyl)methanamine?
The InChIKey is UTBAQZZBWVGFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6,9H,2,11H2,1H3.
What are the key properties of chloro-(2-ethylsulfanylphenyl)methanamine?
chloro-(2-ethylsulfanylphenyl)methanamine has a molecular weight of 201.72 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-ethylsulfanylphenyl)methanamine is sourced from PubChem (CID 174741765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).