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

C11H24S14 — CID 23069307

IUPAC[1,2-bis(sulfanylmethylsulfanyl)-2-[1,2,2-tris(sulfanylmethylsulfanyl)ethylsulfanylmethylsulfanyl]ethyl]sulfanylmethanethiol
SMILESSCSC(SCS)C(SCS)SCSC(SCS)C(SCS)SCS
InChIInChI=1S/C11H24S14/c12-1-18-8(19-2-13)10(22-5-16)24-7-25-11(23-6-17)9(20-3-14)21-4-15/h8-17H,1-7H2
InChIKeyMALTWXYAYKZMJG-UHFFFAOYSA-N
MW605.25 g/mol
LogP7.44
Rot. Bonds18

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

[1,2-bis(sulfanylmethylsulfanyl)-2-[1,2,2-tris(sulfanylmethylsulfanyl)ethylsulfanylmethylsulfanyl]ethyl]sulfanylmethanethiol (PubChem CID 23069307) has the molecular formula C11H24S14 and a molecular weight of 605.25 g/mol. Its IUPAC name is [1,2-bis(sulfanylmethylsulfanyl)-2-[1,2,2-tris(sulfanylmethylsulfanyl)ethylsulfanylmethylsulfanyl]ethyl]sulfanylmethanethiol.

Molecular Properties

Compound Name[1,2-bis(sulfanylmethylsulfanyl)-2-[1,2,2-tris(sulfanylmethylsulfanyl)ethylsulfanylmethylsulfanyl]ethyl]sulfanylmethanethiol
PubChem CID23069307
Molecular FormulaC11H24S14
Molecular Weight605.25 g/mol
Exact Mass603.80
IUPAC Name[1,2-bis(sulfanylmethylsulfanyl)-2-[1,2,2-tris(sulfanylmethylsulfanyl)ethylsulfanylmethylsulfanyl]ethyl]sulfanylmethanethiol
SMILESSCSC(SCS)C(SCS)SCSC(SCS)C(SCS)SCS
InChIInChI=1S/C11H24S14/c12-1-18-8(19-2-13)10(22-5-16)24-7-25-11(23-6-17)9(20-3-14)21-4-15/h8-17H,1-7H2
InChIKeyMALTWXYAYKZMJG-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500605.25
LogP ≤ 57.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

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 [1,2-bis(sulfanylmethylsulfanyl)-2-[1,2,2-tris(sulfanylmethylsulfanyl)ethylsulfanylmethylsulfanyl]ethyl]sulfanylmethanethiol?
The IUPAC name of [1,2-bis(sulfanylmethylsulfanyl)-2-[1,2,2-tris(sulfanylmethylsulfanyl)ethylsulfanylmethylsulfanyl]ethyl]sulfanylmethanethiol (CID 23069307) is [1,2-bis(sulfanylmethylsulfanyl)-2-[1,2,2-tris(sulfanylmethylsulfanyl)ethylsulfanylmethylsulfanyl]ethyl]sulfanylmethanethiol.
What is the SMILES notation for [1,2-bis(sulfanylmethylsulfanyl)-2-[1,2,2-tris(sulfanylmethylsulfanyl)ethylsulfanylmethylsulfanyl]ethyl]sulfanylmethanethiol?
The canonical SMILES for [1,2-bis(sulfanylmethylsulfanyl)-2-[1,2,2-tris(sulfanylmethylsulfanyl)ethylsulfanylmethylsulfanyl]ethyl]sulfanylmethanethiol is SCSC(SCS)C(SCS)SCSC(SCS)C(SCS)SCS.
What is the InChIKey of [1,2-bis(sulfanylmethylsulfanyl)-2-[1,2,2-tris(sulfanylmethylsulfanyl)ethylsulfanylmethylsulfanyl]ethyl]sulfanylmethanethiol?
The InChIKey is MALTWXYAYKZMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24S14/c12-1-18-8(19-2-13)10(22-5-16)24-7-25-11(23-6-17)9(20-3-14)21-4-15/h8-17H,1-7H2.
What are the key properties of [1,2-bis(sulfanylmethylsulfanyl)-2-[1,2,2-tris(sulfanylmethylsulfanyl)ethylsulfanylmethylsulfanyl]ethyl]sulfanylmethanethiol?
[1,2-bis(sulfanylmethylsulfanyl)-2-[1,2,2-tris(sulfanylmethylsulfanyl)ethylsulfanylmethylsulfanyl]ethyl]sulfanylmethanethiol has a molecular weight of 605.25 g/mol, XLogP of 7.44, 18 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-bis(sulfanylmethylsulfanyl)-2-[1,2,2-tris(sulfanylmethylsulfanyl)ethylsulfanylmethylsulfanyl]ethyl]sulfanylmethanethiol is sourced from PubChem (CID 23069307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).