1-chloro-3-[2-[2-(3-chloro-2-hydroxypropyl)sulfanylethylsulfanyl]ethylsulfanyl]propan-2-ol

C10H20Cl2O2S3 — CID 11078299

IUPAC1-chloro-3-[2-[2-(3-chloro-2-hydroxypropyl)sulfanylethylsulfanyl]ethylsulfanyl]propan-2-ol
SMILESOC(CCl)CSCCSCCSCC(O)CCl
InChIInChI=1S/C10H20Cl2O2S3/c11-5-9(13)7-16-3-1-15-2-4-17-8-10(14)6-12/h9-10,13-14H,1-8H2
InChIKeyDVZQMSOCCZRJRR-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.39
Rot. Bonds12

About 1-chloro-3-[2-[2-(3-chloro-2-hydroxypropyl)sulfanylethylsulfanyl]ethylsulfanyl]propan-2-ol

1-chloro-3-[2-[2-(3-chloro-2-hydroxypropyl)sulfanylethylsulfanyl]ethylsulfanyl]propan-2-ol (PubChem CID 11078299) has the molecular formula C10H20Cl2O2S3 and a molecular weight of 339.38 g/mol. Its IUPAC name is 1-chloro-3-[2-[2-(3-chloro-2-hydroxypropyl)sulfanylethylsulfanyl]ethylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[2-[2-(3-chloro-2-hydroxypropyl)sulfanylethylsulfanyl]ethylsulfanyl]propan-2-ol
PubChem CID11078299
Molecular FormulaC10H20Cl2O2S3
Molecular Weight339.38 g/mol
Exact Mass338.00
IUPAC Name1-chloro-3-[2-[2-(3-chloro-2-hydroxypropyl)sulfanylethylsulfanyl]ethylsulfanyl]propan-2-ol
SMILESOC(CCl)CSCCSCCSCC(O)CCl
InChIInChI=1S/C10H20Cl2O2S3/c11-5-9(13)7-16-3-1-15-2-4-17-8-10(14)6-12/h9-10,13-14H,1-8H2
InChIKeyDVZQMSOCCZRJRR-UHFFFAOYSA-N
XLogP2.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-chloro-3-[2-[2-(3-chloro-2-hydroxypropyl)sulfanylethylsulfanyl]ethylsulfanyl]propan-2-ol?
The IUPAC name of 1-chloro-3-[2-[2-(3-chloro-2-hydroxypropyl)sulfanylethylsulfanyl]ethylsulfanyl]propan-2-ol (CID 11078299) is 1-chloro-3-[2-[2-(3-chloro-2-hydroxypropyl)sulfanylethylsulfanyl]ethylsulfanyl]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[2-[2-(3-chloro-2-hydroxypropyl)sulfanylethylsulfanyl]ethylsulfanyl]propan-2-ol?
The canonical SMILES for 1-chloro-3-[2-[2-(3-chloro-2-hydroxypropyl)sulfanylethylsulfanyl]ethylsulfanyl]propan-2-ol is OC(CCl)CSCCSCCSCC(O)CCl.
What is the InChIKey of 1-chloro-3-[2-[2-(3-chloro-2-hydroxypropyl)sulfanylethylsulfanyl]ethylsulfanyl]propan-2-ol?
The InChIKey is DVZQMSOCCZRJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2O2S3/c11-5-9(13)7-16-3-1-15-2-4-17-8-10(14)6-12/h9-10,13-14H,1-8H2.
What are the key properties of 1-chloro-3-[2-[2-(3-chloro-2-hydroxypropyl)sulfanylethylsulfanyl]ethylsulfanyl]propan-2-ol?
1-chloro-3-[2-[2-(3-chloro-2-hydroxypropyl)sulfanylethylsulfanyl]ethylsulfanyl]propan-2-ol has a molecular weight of 339.38 g/mol, XLogP of 2.39, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-[2-(3-chloro-2-hydroxypropyl)sulfanylethylsulfanyl]ethylsulfanyl]propan-2-ol is sourced from PubChem (CID 11078299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).