[2-[2,2-bis(sulfanylmethylsulfanyl)ethyldisulfanyl]-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol

C8H18S10 — CID 23069318

IUPAC[2-[2,2-bis(sulfanylmethylsulfanyl)ethyldisulfanyl]-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol
SMILESSCSC(CSSCC(SCS)SCS)SCS
InChIInChI=1S/C8H18S10/c9-3-13-7(14-4-10)1-17-18-2-8(15-5-11)16-6-12/h7-12H,1-6H2
InChIKeySBQJBBYMJCUVCI-UHFFFAOYSA-N
MW434.90 g/mol
LogP5.50
Rot. Bonds13

About [2-[2,2-bis(sulfanylmethylsulfanyl)ethyldisulfanyl]-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol

[2-[2,2-bis(sulfanylmethylsulfanyl)ethyldisulfanyl]-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol (PubChem CID 23069318) has the molecular formula C8H18S10 and a molecular weight of 434.90 g/mol. Its IUPAC name is [2-[2,2-bis(sulfanylmethylsulfanyl)ethyldisulfanyl]-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol.

Molecular Properties

Compound Name[2-[2,2-bis(sulfanylmethylsulfanyl)ethyldisulfanyl]-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol
PubChem CID23069318
Molecular FormulaC8H18S10
Molecular Weight434.90 g/mol
Exact Mass433.86
IUPAC Name[2-[2,2-bis(sulfanylmethylsulfanyl)ethyldisulfanyl]-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol
SMILESSCSC(CSSCC(SCS)SCS)SCS
InChIInChI=1S/C8H18S10/c9-3-13-7(14-4-10)1-17-18-2-8(15-5-11)16-6-12/h7-12H,1-6H2
InChIKeySBQJBBYMJCUVCI-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.90
LogP ≤ 55.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'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)ethyldisulfanyl]-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol?
The IUPAC name of [2-[2,2-bis(sulfanylmethylsulfanyl)ethyldisulfanyl]-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol (CID 23069318) is [2-[2,2-bis(sulfanylmethylsulfanyl)ethyldisulfanyl]-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol.
What is the SMILES notation for [2-[2,2-bis(sulfanylmethylsulfanyl)ethyldisulfanyl]-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol?
The canonical SMILES for [2-[2,2-bis(sulfanylmethylsulfanyl)ethyldisulfanyl]-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol is SCSC(CSSCC(SCS)SCS)SCS.
What is the InChIKey of [2-[2,2-bis(sulfanylmethylsulfanyl)ethyldisulfanyl]-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol?
The InChIKey is SBQJBBYMJCUVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S10/c9-3-13-7(14-4-10)1-17-18-2-8(15-5-11)16-6-12/h7-12H,1-6H2.
What are the key properties of [2-[2,2-bis(sulfanylmethylsulfanyl)ethyldisulfanyl]-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol?
[2-[2,2-bis(sulfanylmethylsulfanyl)ethyldisulfanyl]-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol has a molecular weight of 434.90 g/mol, XLogP of 5.50, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,2-bis(sulfanylmethylsulfanyl)ethyldisulfanyl]-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol is sourced from PubChem (CID 23069318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).