trichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane

C16H32Cl6S6 — CID 146607253

IUPACtrichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane
SMILESCCC(CCCCSSSSCCCCC(CC)CS(Cl)(Cl)Cl)CS(Cl)(Cl)Cl
InChIInChI=1S/C16H32Cl6S6/c1-3-15(13-27(17,18)19)9-5-7-11-23-25-26-24-12-8-6-10-16(4-2)14-28(20,21)22/h15-16H,3-14H2,1-2H3
InChIKeyPFBGZFBXHJTNCR-UHFFFAOYSA-N
MW629.55 g/mol
LogP12.59
Rot. Bonds19

About trichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane

trichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane (PubChem CID 146607253) has the molecular formula C16H32Cl6S6 and a molecular weight of 629.55 g/mol. Its IUPAC name is trichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane.

Molecular Properties

Compound Nametrichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane
PubChem CID146607253
Molecular FormulaC16H32Cl6S6
Molecular Weight629.55 g/mol
Exact Mass625.90
IUPAC Nametrichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane
SMILESCCC(CCCCSSSSCCCCC(CC)CS(Cl)(Cl)Cl)CS(Cl)(Cl)Cl
InChIInChI=1S/C16H32Cl6S6/c1-3-15(13-27(17,18)19)9-5-7-11-23-25-26-24-12-8-6-10-16(4-2)14-28(20,21)22/h15-16H,3-14H2,1-2H3
InChIKeyPFBGZFBXHJTNCR-UHFFFAOYSA-N
XLogP12.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.55
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(dodecylhexasulfanyl)dodecane
CID 139607418
1-(octadecylhexasulfanyl)octadecane
CID 54412885
3-ethyloctane;propane
CID 143682929
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
1-(hexyltrisulfanyl)octadecane
CID 140815608
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
ethane;3-ethylundecane
CID 144815521
3,6-diethylundecane
CID 22051817

Frequently Asked Questions

What is the IUPAC name of trichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane?
The IUPAC name of trichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane (CID 146607253) is trichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane.
What is the SMILES notation for trichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane?
The canonical SMILES for trichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane is CCC(CCCCSSSSCCCCC(CC)CS(Cl)(Cl)Cl)CS(Cl)(Cl)Cl.
What is the InChIKey of trichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane?
The InChIKey is PFBGZFBXHJTNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32Cl6S6/c1-3-15(13-27(17,18)19)9-5-7-11-23-25-26-24-12-8-6-10-16(4-2)14-28(20,21)22/h15-16H,3-14H2,1-2H3.
What are the key properties of trichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane?
trichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane has a molecular weight of 629.55 g/mol, XLogP of 12.59, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[2-ethyl-6-[5-[(trichloro-λ4-sulfanyl)methyl]heptyltetrasulfanyl]hexyl]-λ4-sulfane is sourced from PubChem (CID 146607253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).