2-[bis(4-chlorophenyl)methylsulfanyl]ethanamine

C15H15Cl2NS — CID 11723014

IUPAC2-[bis(4-chlorophenyl)methylsulfanyl]ethanamine
SMILESNCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2
InChIKeyUZCXWMDBXCJWSY-UHFFFAOYSA-N
MW312.27 g/mol
LogP4.77
Rot. Bonds5

About 2-[bis(4-chlorophenyl)methylsulfanyl]ethanamine

2-[bis(4-chlorophenyl)methylsulfanyl]ethanamine (PubChem CID 11723014) has the molecular formula C15H15Cl2NS and a molecular weight of 312.27 g/mol. Its IUPAC name is 2-[bis(4-chlorophenyl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[bis(4-chlorophenyl)methylsulfanyl]ethanamine
PubChem CID11723014
Molecular FormulaC15H15Cl2NS
Molecular Weight312.27 g/mol
Exact Mass311.03
IUPAC Name2-[bis(4-chlorophenyl)methylsulfanyl]ethanamine
SMILESNCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2
InChIKeyUZCXWMDBXCJWSY-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-chlorophenyl)methylsulfanyl]ethanamine?
The IUPAC name of 2-[bis(4-chlorophenyl)methylsulfanyl]ethanamine (CID 11723014) is 2-[bis(4-chlorophenyl)methylsulfanyl]ethanamine.
What is the SMILES notation for 2-[bis(4-chlorophenyl)methylsulfanyl]ethanamine?
The canonical SMILES for 2-[bis(4-chlorophenyl)methylsulfanyl]ethanamine is NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[bis(4-chlorophenyl)methylsulfanyl]ethanamine?
The InChIKey is UZCXWMDBXCJWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2.
What are the key properties of 2-[bis(4-chlorophenyl)methylsulfanyl]ethanamine?
2-[bis(4-chlorophenyl)methylsulfanyl]ethanamine has a molecular weight of 312.27 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-chlorophenyl)methylsulfanyl]ethanamine is sourced from PubChem (CID 11723014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).