(4-benzylsulfanylphenyl)methanamine;hydrochloride

C14H16ClNS — CID 3043268

IUPAC(4-benzylsulfanylphenyl)methanamine;hydrochloride
SMILESCl.NCc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C14H15NS.ClH/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;/h1-9H,10-11,15H2;1H
InChIKeyYTJRKXXHDKVOMA-UHFFFAOYSA-N
MW265.81 g/mol
LogP3.86
Rot. Bonds4

About (4-benzylsulfanylphenyl)methanamine;hydrochloride

(4-benzylsulfanylphenyl)methanamine;hydrochloride (PubChem CID 3043268) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is (4-benzylsulfanylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-benzylsulfanylphenyl)methanamine;hydrochloride
PubChem CID3043268
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name(4-benzylsulfanylphenyl)methanamine;hydrochloride
SMILESCl.NCc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C14H15NS.ClH/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;/h1-9H,10-11,15H2;1H
InChIKeyYTJRKXXHDKVOMA-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-benzylsulfanylphenyl)methanamine;hydrochloride?
The IUPAC name of (4-benzylsulfanylphenyl)methanamine;hydrochloride (CID 3043268) is (4-benzylsulfanylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-benzylsulfanylphenyl)methanamine;hydrochloride?
The canonical SMILES for (4-benzylsulfanylphenyl)methanamine;hydrochloride is Cl.NCc1ccc(SCc2ccccc2)cc1.
What is the InChIKey of (4-benzylsulfanylphenyl)methanamine;hydrochloride?
The InChIKey is YTJRKXXHDKVOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS.ClH/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;/h1-9H,10-11,15H2;1H.
What are the key properties of (4-benzylsulfanylphenyl)methanamine;hydrochloride?
(4-benzylsulfanylphenyl)methanamine;hydrochloride has a molecular weight of 265.81 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylsulfanylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 3043268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).