dichloro-bis(3-phenoxypropyl)-λ4-sulfane

C18H22Cl2O2S — CID 126763553

IUPACdichloro-bis(3-phenoxypropyl)-λ4-sulfane
SMILESClS(Cl)(CCCOc1ccccc1)CCCOc1ccccc1
InChIInChI=1S/C18H22Cl2O2S/c19-23(20,15-7-13-21-17-9-3-1-4-10-17)16-8-14-22-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2
InChIKeyWGYJNQDVJLOPJW-UHFFFAOYSA-N
MW373.34 g/mol
LogP6.04
Rot. Bonds10

About dichloro-bis(3-phenoxypropyl)-λ4-sulfane

dichloro-bis(3-phenoxypropyl)-λ4-sulfane (PubChem CID 126763553) has the molecular formula C18H22Cl2O2S and a molecular weight of 373.34 g/mol. Its IUPAC name is dichloro-bis(3-phenoxypropyl)-λ4-sulfane.

Molecular Properties

Compound Namedichloro-bis(3-phenoxypropyl)-λ4-sulfane
PubChem CID126763553
Molecular FormulaC18H22Cl2O2S
Molecular Weight373.34 g/mol
Exact Mass372.07
IUPAC Namedichloro-bis(3-phenoxypropyl)-λ4-sulfane
SMILESClS(Cl)(CCCOc1ccccc1)CCCOc1ccccc1
InChIInChI=1S/C18H22Cl2O2S/c19-23(20,15-7-13-21-17-9-3-1-4-10-17)16-8-14-22-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2
InChIKeyWGYJNQDVJLOPJW-UHFFFAOYSA-N
XLogP6.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.34
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trichloro(3-phenoxypropyl)-λ4-sulfane
CID 170234656
3-phenoxypropane-1-sulfonyl chloride
CID 62937989
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2-phenoxyethylmercury
CID 163598363
3-phenoxypropane-1-thiol
CID 18792707
10-phenoxydecane-1-sulfonic acid
CID 58984193
2-phenoxyethanesulfonamide
CID 54595861
1-(chloromethyl)-4-(4-phenoxybutoxy)benzene
CID 23206644
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
2-methyl-2-(3-phenoxypropylsulfonyl)propanoic acid
CID 81229811
4,4-dimethylpentoxybenzene;fluoromethane
CID 158387745

Frequently Asked Questions

What is the IUPAC name of dichloro-bis(3-phenoxypropyl)-λ4-sulfane?
The IUPAC name of dichloro-bis(3-phenoxypropyl)-λ4-sulfane (CID 126763553) is dichloro-bis(3-phenoxypropyl)-λ4-sulfane.
What is the SMILES notation for dichloro-bis(3-phenoxypropyl)-λ4-sulfane?
The canonical SMILES for dichloro-bis(3-phenoxypropyl)-λ4-sulfane is ClS(Cl)(CCCOc1ccccc1)CCCOc1ccccc1.
What is the InChIKey of dichloro-bis(3-phenoxypropyl)-λ4-sulfane?
The InChIKey is WGYJNQDVJLOPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2O2S/c19-23(20,15-7-13-21-17-9-3-1-4-10-17)16-8-14-22-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2.
What are the key properties of dichloro-bis(3-phenoxypropyl)-λ4-sulfane?
dichloro-bis(3-phenoxypropyl)-λ4-sulfane has a molecular weight of 373.34 g/mol, XLogP of 6.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-bis(3-phenoxypropyl)-λ4-sulfane is sourced from PubChem (CID 126763553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).