[2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol

C16H24S9 — CID 22602203

IUPAC[2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol
SMILESSCC1CSC(CCSc2ccc(SCCC3SCC(CS)S3)s2)S1
InChIInChI=1S/C16H24S9/c17-7-11-9-21-15(23-11)3-5-19-13-1-2-14(25-13)20-6-4-16-22-10-12(8-18)24-16/h1-2,11-12,15-18H,3-10H2
InChIKeyIWDLVVLHIRRNRR-UHFFFAOYSA-N
MW504.97 g/mol
LogP6.92
Rot. Bonds10

About [2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol

[2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol (PubChem CID 22602203) has the molecular formula C16H24S9 and a molecular weight of 504.97 g/mol. Its IUPAC name is [2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol.

Molecular Properties

Compound Name[2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol
PubChem CID22602203
Molecular FormulaC16H24S9
Molecular Weight504.97 g/mol
Exact Mass503.94
IUPAC Name[2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol
SMILESSCC1CSC(CCSc2ccc(SCCC3SCC(CS)S3)s2)S1
InChIInChI=1S/C16H24S9/c17-7-11-9-21-15(23-11)3-5-19-13-1-2-14(25-13)20-6-4-16-22-10-12(8-18)24-16/h1-2,11-12,15-18H,3-10H2
InChIKeyIWDLVVLHIRRNRR-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.97
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol with MolForge

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Related Compounds

2-([[(Thien-2-yl)thio]methyl]thio)thiophene
CID 6422751
5-Ethylthio-2-(5-ethylthio(2-thienyl)thio)thiophene
CID 2022119
4-(2-Thienylthio)tetrahydrothiophene-2-thione
CID 14433406
2-Di-(2-thienyl)-2,5,8,11-tetrathiadodecane
CID 129705118
3-Ethylthio-2-thienyl sulfide
CID 129793891
4-(2-Thienylthio)-tetrahydrothiophene-2-thiol
CID 129796705
thiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium
CID 166447165
2-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene
CID 166447166
3-(Thiophen-3-ylsulfanylmethylsulfanyl)thiophene
CID 86005272
2,5-Bis(thiophen-2-ylsulfanyl)thiophene
CID 1776624
S-[[2-[[5-[[4-(prop-2-enoylsulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-2-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methyl] prop-2-enethioate
CID 22601984
[2-[[4-[[4-(Sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-3-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol
CID 22602125

Frequently Asked Questions

What is the IUPAC name of [2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol?
The IUPAC name of [2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol (CID 22602203) is [2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol.
What is the SMILES notation for [2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol?
The canonical SMILES for [2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol is SCC1CSC(CCSc2ccc(SCCC3SCC(CS)S3)s2)S1.
What is the InChIKey of [2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol?
The InChIKey is IWDLVVLHIRRNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24S9/c17-7-11-9-21-15(23-11)3-5-19-13-1-2-14(25-13)20-6-4-16-22-10-12(8-18)24-16/h1-2,11-12,15-18H,3-10H2.
What are the key properties of [2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol?
[2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol has a molecular weight of 504.97 g/mol, XLogP of 6.92, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[5-[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol is sourced from PubChem (CID 22602203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).