2-phenylsulfanylprop-2-en-1-amine

C9H11NS — CID 10975839

IUPAC2-phenylsulfanylprop-2-en-1-amine
SMILESC=C(CN)Sc1ccccc1
InChIInChI=1S/C9H11NS/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6H,1,7,10H2
InChIKeyKYWLFLHPHZZNFV-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.25
Rot. Bonds3

About 2-phenylsulfanylprop-2-en-1-amine

2-phenylsulfanylprop-2-en-1-amine (PubChem CID 10975839) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 2-phenylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound Name2-phenylsulfanylprop-2-en-1-amine
PubChem CID10975839
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name2-phenylsulfanylprop-2-en-1-amine
SMILESC=C(CN)Sc1ccccc1
InChIInChI=1S/C9H11NS/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6H,1,7,10H2
InChIKeyKYWLFLHPHZZNFV-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylprop-2-en-1-amine?
The IUPAC name of 2-phenylsulfanylprop-2-en-1-amine (CID 10975839) is 2-phenylsulfanylprop-2-en-1-amine.
What is the SMILES notation for 2-phenylsulfanylprop-2-en-1-amine?
The canonical SMILES for 2-phenylsulfanylprop-2-en-1-amine is C=C(CN)Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanylprop-2-en-1-amine?
The InChIKey is KYWLFLHPHZZNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6H,1,7,10H2.
What are the key properties of 2-phenylsulfanylprop-2-en-1-amine?
2-phenylsulfanylprop-2-en-1-amine has a molecular weight of 165.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 10975839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).