2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane

C10H12S2 — CID 10936596

IUPAC2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane
SMILESC1=CCC(=C2SCCCS2)C=C1
InChIInChI=1S/C10H12S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5H,4,6-8H2
InChIKeyBCNWVBGFXLMFNF-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.58
Rot. Bonds

About 2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane

2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane (PubChem CID 10936596) has the molecular formula C10H12S2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane
PubChem CID10936596
Molecular FormulaC10H12S2
Molecular Weight196.34 g/mol
Exact Mass196.04
IUPAC Name2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane
SMILESC1=CCC(=C2SCCCS2)C=C1
InChIInChI=1S/C10H12S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5H,4,6-8H2
InChIKeyBCNWVBGFXLMFNF-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohepta-1,3,5-triene-1,2-diamine
CID 163640522
2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane]
CID 91221458
4-methylidene-1H-azulene
CID 144559189
2-cyclopentadecylidene-1,3-dithiane
CID 101486575
5-methylidenecyclohexa-1,3-diene;dihydrobromide
CID 175171179
cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one
CID 123633481
cyclohexa-2,4-dien-1-one;octahydrate
CID 175148606
2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene
CID 10624148
6-cyclohexa-2,4-dien-1-ylidene-1-methylidenepyrimidin-1-ium
CID 159042161
1,3,4,9-tetrahydrocyclohepta[d]oxazine
CID 141346636
2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane
CID 66827575
2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile
CID 163470671

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane?
The IUPAC name of 2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane (CID 10936596) is 2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane is C1=CCC(=C2SCCCS2)C=C1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane?
The InChIKey is BCNWVBGFXLMFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5H,4,6-8H2.
What are the key properties of 2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane?
2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane has a molecular weight of 196.34 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane is sourced from PubChem (CID 10936596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).