2-(2-chlorophenyl)sulfanylethanamine

C8H10ClNS — CID 14244857

IUPAC2-(2-chlorophenyl)sulfanylethanamine
SMILESNCCSc1ccccc1Cl
InChIInChI=1S/C8H10ClNS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,5-6,10H2
InChIKeyLVNUIAXDEGLQCX-UHFFFAOYSA-N
MW187.70 g/mol
LogP2.39
Rot. Bonds3

About 2-(2-chlorophenyl)sulfanylethanamine

2-(2-chlorophenyl)sulfanylethanamine (PubChem CID 14244857) has the molecular formula C8H10ClNS and a molecular weight of 187.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanylethanamine
PubChem CID14244857
Molecular FormulaC8H10ClNS
Molecular Weight187.70 g/mol
Exact Mass187.02
IUPAC Name2-(2-chlorophenyl)sulfanylethanamine
SMILESNCCSc1ccccc1Cl
InChIInChI=1S/C8H10ClNS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,5-6,10H2
InChIKeyLVNUIAXDEGLQCX-UHFFFAOYSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.70
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanylethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanylethanamine (CID 14244857) is 2-(2-chlorophenyl)sulfanylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanylethanamine is NCCSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanylethanamine?
The InChIKey is LVNUIAXDEGLQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,5-6,10H2.
What are the key properties of 2-(2-chlorophenyl)sulfanylethanamine?
2-(2-chlorophenyl)sulfanylethanamine has a molecular weight of 187.70 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanylethanamine is sourced from PubChem (CID 14244857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).