[2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol

C8H18S9 — CID 23069281

IUPAC[2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol
SMILESSCSCC(SCS)SCC(SCS)SCS
InChIInChI=1S/C8H18S9/c9-3-13-1-7(15-4-10)14-2-8(16-5-11)17-6-12/h7-12H,1-6H2
InChIKeyDOQRIAMLLYWTDU-UHFFFAOYSA-N
MW402.84 g/mol
LogP4.85
Rot. Bonds12

About [2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol

[2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol (PubChem CID 23069281) has the molecular formula C8H18S9 and a molecular weight of 402.84 g/mol. Its IUPAC name is [2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol.

Molecular Properties

Compound Name[2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol
PubChem CID23069281
Molecular FormulaC8H18S9
Molecular Weight402.84 g/mol
Exact Mass401.89
IUPAC Name[2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol
SMILESSCSCC(SCS)SCC(SCS)SCS
InChIInChI=1S/C8H18S9/c9-3-13-1-7(15-4-10)14-2-8(16-5-11)17-6-12/h7-12H,1-6H2
InChIKeyDOQRIAMLLYWTDU-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol?
The IUPAC name of [2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol (CID 23069281) is [2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol.
What is the SMILES notation for [2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol?
The canonical SMILES for [2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol is SCSCC(SCS)SCC(SCS)SCS.
What is the InChIKey of [2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol?
The InChIKey is DOQRIAMLLYWTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S9/c9-3-13-1-7(15-4-10)14-2-8(16-5-11)17-6-12/h7-12H,1-6H2.
What are the key properties of [2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol?
[2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol has a molecular weight of 402.84 g/mol, XLogP of 4.85, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol is sourced from PubChem (CID 23069281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).