trichloro(3-phenoxypropyl)-λ4-sulfane

C9H11Cl3OS — CID 170234656

IUPACtrichloro(3-phenoxypropyl)-λ4-sulfane
SMILESClS(Cl)(Cl)CCCOc1ccccc1
InChIInChI=1S/C9H11Cl3OS/c10-14(11,12)8-4-7-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyLJJDOIBJOVYUBV-UHFFFAOYSA-N
MW273.61 g/mol
LogP4.72
Rot. Bonds5

About trichloro(3-phenoxypropyl)-λ4-sulfane

trichloro(3-phenoxypropyl)-λ4-sulfane (PubChem CID 170234656) has the molecular formula C9H11Cl3OS and a molecular weight of 273.61 g/mol. Its IUPAC name is trichloro(3-phenoxypropyl)-λ4-sulfane.

Molecular Properties

Compound Nametrichloro(3-phenoxypropyl)-λ4-sulfane
PubChem CID170234656
Molecular FormulaC9H11Cl3OS
Molecular Weight273.61 g/mol
Exact Mass271.96
IUPAC Nametrichloro(3-phenoxypropyl)-λ4-sulfane
SMILESClS(Cl)(Cl)CCCOc1ccccc1
InChIInChI=1S/C9H11Cl3OS/c10-14(11,12)8-4-7-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyLJJDOIBJOVYUBV-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.61
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dichloro-bis(3-phenoxypropyl)-λ4-sulfane
CID 126763553
3-phenoxypropane-1-sulfonyl chloride
CID 62937989
3-phenoxypropane-1-thiol
CID 18792707
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2-phenoxyethylmercury
CID 163598363
10-phenoxydecane-1-sulfonic acid
CID 58984193
1-(chloromethyl)-4-(4-phenoxybutoxy)benzene
CID 23206644
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
2-phenoxyethanesulfonamide
CID 54595861
3-(3-phenoxypropylsulfonylmethyl)azetidine
CID 81198246
2-methyl-2-(3-phenoxypropylsulfonyl)propanoic acid
CID 81229811

Frequently Asked Questions

What is the IUPAC name of trichloro(3-phenoxypropyl)-λ4-sulfane?
The IUPAC name of trichloro(3-phenoxypropyl)-λ4-sulfane (CID 170234656) is trichloro(3-phenoxypropyl)-λ4-sulfane.
What is the SMILES notation for trichloro(3-phenoxypropyl)-λ4-sulfane?
The canonical SMILES for trichloro(3-phenoxypropyl)-λ4-sulfane is ClS(Cl)(Cl)CCCOc1ccccc1.
What is the InChIKey of trichloro(3-phenoxypropyl)-λ4-sulfane?
The InChIKey is LJJDOIBJOVYUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl3OS/c10-14(11,12)8-4-7-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.
What are the key properties of trichloro(3-phenoxypropyl)-λ4-sulfane?
trichloro(3-phenoxypropyl)-λ4-sulfane has a molecular weight of 273.61 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(3-phenoxypropyl)-λ4-sulfane is sourced from PubChem (CID 170234656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).