spiro[1,3-dithiole-2,2'-4H-1,3-benzodithiine]

C10H8S4 — CID 11076080

IUPACspiro[1,3-dithiole-2,2'-4H-1,3-benzodithiine]
SMILESC1=CSC2(S1)SCc1ccccc1S2
InChIInChI=1S/C10H8S4/c1-2-4-9-8(3-1)7-13-10(14-9)11-5-6-12-10/h1-6H,7H2
InChIKeyUVAFAXRVQOQQTR-UHFFFAOYSA-N
MW256.44 g/mol
LogP4.59
Rot. Bonds

About spiro[1,3-dithiole-2,2'-4H-1,3-benzodithiine]

spiro[1,3-dithiole-2,2'-4H-1,3-benzodithiine] (PubChem CID 11076080) has the molecular formula C10H8S4 and a molecular weight of 256.44 g/mol. Its IUPAC name is spiro[1,3-dithiole-2,2'-4H-1,3-benzodithiine].

Molecular Properties

Compound Namespiro[1,3-dithiole-2,2'-4H-1,3-benzodithiine]
PubChem CID11076080
Molecular FormulaC10H8S4
Molecular Weight256.44 g/mol
Exact Mass255.95
IUPAC Namespiro[1,3-dithiole-2,2'-4H-1,3-benzodithiine]
SMILESC1=CSC2(S1)SCc1ccccc1S2
InChIInChI=1S/C10H8S4/c1-2-4-9-8(3-1)7-13-10(14-9)11-5-6-12-10/h1-6H,7H2
InChIKeyUVAFAXRVQOQQTR-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dithiole-2,2'-4H-1,3-benzodithiine]?
The IUPAC name of spiro[1,3-dithiole-2,2'-4H-1,3-benzodithiine] (CID 11076080) is spiro[1,3-dithiole-2,2'-4H-1,3-benzodithiine].
What is the SMILES notation for spiro[1,3-dithiole-2,2'-4H-1,3-benzodithiine]?
The canonical SMILES for spiro[1,3-dithiole-2,2'-4H-1,3-benzodithiine] is C1=CSC2(S1)SCc1ccccc1S2.
What is the InChIKey of spiro[1,3-dithiole-2,2'-4H-1,3-benzodithiine]?
The InChIKey is UVAFAXRVQOQQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8S4/c1-2-4-9-8(3-1)7-13-10(14-9)11-5-6-12-10/h1-6H,7H2.
What are the key properties of spiro[1,3-dithiole-2,2'-4H-1,3-benzodithiine]?
spiro[1,3-dithiole-2,2'-4H-1,3-benzodithiine] has a molecular weight of 256.44 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dithiole-2,2'-4H-1,3-benzodithiine] is sourced from PubChem (CID 11076080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).