2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole

C20H14S10 — CID 10076839

IUPAC2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole
SMILESC1=CSC(=C2SC=C(SCc3cccc(CSC4=CSC(=C5SC=CS5)S4)c3)S2)S1
InChIInChI=1S/C20H14S10/c1-2-13(9-25-15-11-27-19(29-15)17-21-4-5-22-17)8-14(3-1)10-26-16-12-28-20(30-16)18-23-6-7-24-18/h1-8,11-12H,9-10H2
InChIKeyCFVZCPZMAFYHLN-UHFFFAOYSA-N
MW575.00 g/mol
LogP10.87
Rot. Bonds6

About 2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole

2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole (PubChem CID 10076839) has the molecular formula C20H14S10 and a molecular weight of 575.00 g/mol. Its IUPAC name is 2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole.

Molecular Properties

Compound Name2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole
PubChem CID10076839
Molecular FormulaC20H14S10
Molecular Weight575.00 g/mol
Exact Mass573.83
IUPAC Name2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole
SMILESC1=CSC(=C2SC=C(SCc3cccc(CSC4=CSC(=C5SC=CS5)S4)c3)S2)S1
InChIInChI=1S/C20H14S10/c1-2-13(9-25-15-11-27-19(29-15)17-21-4-5-22-17)8-14(3-1)10-26-16-12-28-20(30-16)18-23-6-7-24-18/h1-8,11-12H,9-10H2
InChIKeyCFVZCPZMAFYHLN-UHFFFAOYSA-N
XLogP10.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.00
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole?
The IUPAC name of 2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole (CID 10076839) is 2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole.
What is the SMILES notation for 2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole?
The canonical SMILES for 2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole is C1=CSC(=C2SC=C(SCc3cccc(CSC4=CSC(=C5SC=CS5)S4)c3)S2)S1.
What is the InChIKey of 2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole?
The InChIKey is CFVZCPZMAFYHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14S10/c1-2-13(9-25-15-11-27-19(29-15)17-21-4-5-22-17)8-14(3-1)10-26-16-12-28-20(30-16)18-23-6-7-24-18/h1-8,11-12H,9-10H2.
What are the key properties of 2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole?
2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole has a molecular weight of 575.00 g/mol, XLogP of 10.87, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole is sourced from PubChem (CID 10076839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).