2-[bis(methylsulfanyl)methylidene]-1,3-benzodithiole

C10H10S4 — CID 14249442

IUPAC2-[bis(methylsulfanyl)methylidene]-1,3-benzodithiole
SMILESCSC(SC)=C1Sc2ccccc2S1
InChIInChI=1S/C10H10S4/c1-11-9(12-2)10-13-7-5-3-4-6-8(7)14-10/h3-6H,1-2H3
InChIKeyNFYZXRMWSHSYDW-UHFFFAOYSA-N
MW258.46 g/mol
LogP4.74
Rot. Bonds2

About 2-[bis(methylsulfanyl)methylidene]-1,3-benzodithiole

2-[bis(methylsulfanyl)methylidene]-1,3-benzodithiole (PubChem CID 14249442) has the molecular formula C10H10S4 and a molecular weight of 258.46 g/mol. Its IUPAC name is 2-[bis(methylsulfanyl)methylidene]-1,3-benzodithiole.

Molecular Properties

Compound Name2-[bis(methylsulfanyl)methylidene]-1,3-benzodithiole
PubChem CID14249442
Molecular FormulaC10H10S4
Molecular Weight258.46 g/mol
Exact Mass257.97
IUPAC Name2-[bis(methylsulfanyl)methylidene]-1,3-benzodithiole
SMILESCSC(SC)=C1Sc2ccccc2S1
InChIInChI=1S/C10H10S4/c1-11-9(12-2)10-13-7-5-3-4-6-8(7)14-10/h3-6H,1-2H3
InChIKeyNFYZXRMWSHSYDW-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(methylsulfanyl)methylidene]-1,3-benzodithiole?
The IUPAC name of 2-[bis(methylsulfanyl)methylidene]-1,3-benzodithiole (CID 14249442) is 2-[bis(methylsulfanyl)methylidene]-1,3-benzodithiole.
What is the SMILES notation for 2-[bis(methylsulfanyl)methylidene]-1,3-benzodithiole?
The canonical SMILES for 2-[bis(methylsulfanyl)methylidene]-1,3-benzodithiole is CSC(SC)=C1Sc2ccccc2S1.
What is the InChIKey of 2-[bis(methylsulfanyl)methylidene]-1,3-benzodithiole?
The InChIKey is NFYZXRMWSHSYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S4/c1-11-9(12-2)10-13-7-5-3-4-6-8(7)14-10/h3-6H,1-2H3.
What are the key properties of 2-[bis(methylsulfanyl)methylidene]-1,3-benzodithiole?
2-[bis(methylsulfanyl)methylidene]-1,3-benzodithiole has a molecular weight of 258.46 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(methylsulfanyl)methylidene]-1,3-benzodithiole is sourced from PubChem (CID 14249442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).