2-(4-chlorophenyl)sulfanyl-N,N-diethylethanamine;hydrochloride

C12H19Cl2NS — CID 68772199

IUPAC2-(4-chlorophenyl)sulfanyl-N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CCSc1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H18ClNS.ClH/c1-3-14(4-2)9-10-15-12-7-5-11(13)6-8-12;/h5-8H,3-4,9-10H2,1-2H3;1H
InChIKeyRPNMGUBLKCLAEK-UHFFFAOYSA-N
MW280.26 g/mol
LogP4.20
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N,N-diethylethanamine;hydrochloride

2-(4-chlorophenyl)sulfanyl-N,N-diethylethanamine;hydrochloride (PubChem CID 68772199) has the molecular formula C12H19Cl2NS and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N,N-diethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N,N-diethylethanamine;hydrochloride
PubChem CID68772199
Molecular FormulaC12H19Cl2NS
Molecular Weight280.26 g/mol
Exact Mass279.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CCSc1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H18ClNS.ClH/c1-3-14(4-2)9-10-15-12-7-5-11(13)6-8-12;/h5-8H,3-4,9-10H2,1-2H3;1H
InChIKeyRPNMGUBLKCLAEK-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N,N-diethylethanamine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N,N-diethylethanamine;hydrochloride (CID 68772199) is 2-(4-chlorophenyl)sulfanyl-N,N-diethylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N,N-diethylethanamine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N,N-diethylethanamine;hydrochloride is CCN(CC)CCSc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N,N-diethylethanamine;hydrochloride?
The InChIKey is RPNMGUBLKCLAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS.ClH/c1-3-14(4-2)9-10-15-12-7-5-11(13)6-8-12;/h5-8H,3-4,9-10H2,1-2H3;1H.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N,N-diethylethanamine;hydrochloride?
2-(4-chlorophenyl)sulfanyl-N,N-diethylethanamine;hydrochloride has a molecular weight of 280.26 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N,N-diethylethanamine;hydrochloride is sourced from PubChem (CID 68772199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).