1-[3-chloro-2-(2-chloroethylsulfanyl)propyl]sulfanyl-3-(2-chloroethylsulfanyl)propan-2-ol

C10H19Cl3OS3 — CID 153325240

IUPAC1-[3-chloro-2-(2-chloroethylsulfanyl)propyl]sulfanyl-3-(2-chloroethylsulfanyl)propan-2-ol
SMILESOC(CSCCCl)CSCC(CCl)SCCCl
InChIInChI=1S/C10H19Cl3OS3/c11-1-3-15-6-9(14)7-16-8-10(5-13)17-4-2-12/h9-10,14H,1-8H2
InChIKeyQJUAVASIOHAUFH-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.63
Rot. Bonds12

About 1-[3-chloro-2-(2-chloroethylsulfanyl)propyl]sulfanyl-3-(2-chloroethylsulfanyl)propan-2-ol

1-[3-chloro-2-(2-chloroethylsulfanyl)propyl]sulfanyl-3-(2-chloroethylsulfanyl)propan-2-ol (PubChem CID 153325240) has the molecular formula C10H19Cl3OS3 and a molecular weight of 357.82 g/mol. Its IUPAC name is 1-[3-chloro-2-(2-chloroethylsulfanyl)propyl]sulfanyl-3-(2-chloroethylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-[3-chloro-2-(2-chloroethylsulfanyl)propyl]sulfanyl-3-(2-chloroethylsulfanyl)propan-2-ol
PubChem CID153325240
Molecular FormulaC10H19Cl3OS3
Molecular Weight357.82 g/mol
Exact Mass355.97
IUPAC Name1-[3-chloro-2-(2-chloroethylsulfanyl)propyl]sulfanyl-3-(2-chloroethylsulfanyl)propan-2-ol
SMILESOC(CSCCCl)CSCC(CCl)SCCCl
InChIInChI=1S/C10H19Cl3OS3/c11-1-3-15-6-9(14)7-16-8-10(5-13)17-4-2-12/h9-10,14H,1-8H2
InChIKeyQJUAVASIOHAUFH-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(2-chloroethylsulfanyl)propyl]sulfanyl-3-(2-chloroethylsulfanyl)propan-2-ol?
The IUPAC name of 1-[3-chloro-2-(2-chloroethylsulfanyl)propyl]sulfanyl-3-(2-chloroethylsulfanyl)propan-2-ol (CID 153325240) is 1-[3-chloro-2-(2-chloroethylsulfanyl)propyl]sulfanyl-3-(2-chloroethylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-[3-chloro-2-(2-chloroethylsulfanyl)propyl]sulfanyl-3-(2-chloroethylsulfanyl)propan-2-ol?
The canonical SMILES for 1-[3-chloro-2-(2-chloroethylsulfanyl)propyl]sulfanyl-3-(2-chloroethylsulfanyl)propan-2-ol is OC(CSCCCl)CSCC(CCl)SCCCl.
What is the InChIKey of 1-[3-chloro-2-(2-chloroethylsulfanyl)propyl]sulfanyl-3-(2-chloroethylsulfanyl)propan-2-ol?
The InChIKey is QJUAVASIOHAUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl3OS3/c11-1-3-15-6-9(14)7-16-8-10(5-13)17-4-2-12/h9-10,14H,1-8H2.
What are the key properties of 1-[3-chloro-2-(2-chloroethylsulfanyl)propyl]sulfanyl-3-(2-chloroethylsulfanyl)propan-2-ol?
1-[3-chloro-2-(2-chloroethylsulfanyl)propyl]sulfanyl-3-(2-chloroethylsulfanyl)propan-2-ol has a molecular weight of 357.82 g/mol, XLogP of 3.63, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(2-chloroethylsulfanyl)propyl]sulfanyl-3-(2-chloroethylsulfanyl)propan-2-ol is sourced from PubChem (CID 153325240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).