[2-[[4-[[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-3-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol

C14H20S9 — CID 22602125

IUPAC[2-[[4-[[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-3-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol
SMILESSCC1CSC(CSc2cscc2SCC2SCC(CS)S2)S1
InChIInChI=1S/C14H20S9/c15-1-9-3-20-13(22-9)7-18-11-5-17-6-12(11)19-8-14-21-4-10(2-16)23-14/h5-6,9-10,13-16H,1-4,7-8H2
InChIKeyATAMSSOKPBMOOW-UHFFFAOYSA-N
MW476.92 g/mol
LogP6.14
Rot. Bonds8

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

[2-[[4-[[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-3-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol (PubChem CID 22602125) has the molecular formula C14H20S9 and a molecular weight of 476.92 g/mol. Its IUPAC name is [2-[[4-[[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-3-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol.

Molecular Properties

Compound Name[2-[[4-[[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-3-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol
PubChem CID22602125
Molecular FormulaC14H20S9
Molecular Weight476.92 g/mol
Exact Mass475.91
IUPAC Name[2-[[4-[[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-3-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol
SMILESSCC1CSC(CSc2cscc2SCC2SCC(CS)S2)S1
InChIInChI=1S/C14H20S9/c15-1-9-3-20-13(22-9)7-18-11-5-17-6-12(11)19-8-14-21-4-10(2-16)23-14/h5-6,9-10,13-16H,1-4,7-8H2
InChIKeyATAMSSOKPBMOOW-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.92
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

2-(1,3-Dithiolan-2-ylidene)thieno[3,4-d][1,3]dithiole
CID 15190237
[2-[4-[4-(Sulfanylmethyl)-1,3-dithiolan-2-yl]thiophen-3-yl]-1,3-dithiolan-4-yl]methanethiol
CID 22602021
[2-[2-[5-[2-[4-(Sulfanylmethyl)-1,3-dithiolan-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiolan-4-yl]methanethiol
CID 22602203
[2-[[5-[[4-(Sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-2-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol
CID 22602231
3,4-Bis(1-methylsulfanylethylsulfanyl)thiophene
CID 124102790
3,4-Bis(methylsulfanylmethylsulfanyl)thiophene
CID 124102795
3,4-Bis[2-(2-methylsulfanylethylsulfanyl)ethylsulfanyl]thiophene
CID 124102796
3,4-Bis(2-methylsulfanylethylsulfanyl)thiophene
CID 124118262
[4-(Sulfanylmethylsulfanyl)thiophen-3-yl]sulfanylmethanethiol
CID 132179767
[2-[2-[5-[2-[4-(Sulfanylmethyl)-1,3-dithiol-2-yl]ethylsulfanyl]thiophen-2-yl]sulfanylethyl]-1,3-dithiol-4-yl]methanethiol
CID 141049455
1-[2-[[5-[[4-(1-Sulfanylethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-2-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]ethanethiol
CID 141595078
[5-(Sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol
CID 161397004

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-3-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol?
The IUPAC name of [2-[[4-[[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-3-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol (CID 22602125) is [2-[[4-[[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-3-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol.
What is the SMILES notation for [2-[[4-[[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-3-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol?
The canonical SMILES for [2-[[4-[[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-3-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol is SCC1CSC(CSc2cscc2SCC2SCC(CS)S2)S1.
What is the InChIKey of [2-[[4-[[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-3-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol?
The InChIKey is ATAMSSOKPBMOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S9/c15-1-9-3-20-13(22-9)7-18-11-5-17-6-12(11)19-8-14-21-4-10(2-16)23-14/h5-6,9-10,13-16H,1-4,7-8H2.
What are the key properties of [2-[[4-[[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-3-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol?
[2-[[4-[[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-3-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol has a molecular weight of 476.92 g/mol, XLogP of 6.14, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]methylsulfanyl]thiophen-3-yl]sulfanylmethyl]-1,3-dithiolan-4-yl]methanethiol is sourced from PubChem (CID 22602125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).