1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine

C11H15Cl2NS2 — CID 66218948

IUPAC1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine
SMILESCC(N)CSCCSc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NS2/c1-8(14)7-15-4-5-16-11-6-9(12)2-3-10(11)13/h2-3,6,8H,4-5,7,14H2,1H3
InChIKeyJYXDYXYDLGEPDK-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.17
Rot. Bonds6

About 1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine

1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine (PubChem CID 66218948) has the molecular formula C11H15Cl2NS2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine
PubChem CID66218948
Molecular FormulaC11H15Cl2NS2
Molecular Weight296.29 g/mol
Exact Mass295.00
IUPAC Name1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine
SMILESCC(N)CSCCSc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NS2/c1-8(14)7-15-4-5-16-11-6-9(12)2-3-10(11)13/h2-3,6,8H,4-5,7,14H2,1H3
InChIKeyJYXDYXYDLGEPDK-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 104889169
3-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]-2-methylpropanoic acid
CID 64915120
methyl 3-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]-2-methylpropanoate
CID 66115350
5-(2,5-dichlorophenyl)sulfanyl-N-methylpentan-2-amine
CID 64620648
6-(2,5-dichlorophenyl)sulfanylhexan-3-amine
CID 106808220
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-3-methylbutan-2-amine
CID 55026719
N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine
CID 62685895
1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114865881
(2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine
CID 104971612
1-[2-(3-chlorophenoxy)ethylsulfanyl]propan-2-amine
CID 66219215
3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64805325
3-(2,5-dichlorophenyl)sulfanyl-N-ethylpropan-1-amine
CID 61386021

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine?
The IUPAC name of 1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine (CID 66218948) is 1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine?
The canonical SMILES for 1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine is CC(N)CSCCSc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine?
The InChIKey is JYXDYXYDLGEPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NS2/c1-8(14)7-15-4-5-16-11-6-9(12)2-3-10(11)13/h2-3,6,8H,4-5,7,14H2,1H3.
What are the key properties of 1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine?
1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine has a molecular weight of 296.29 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine is sourced from PubChem (CID 66218948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).