7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C12H10S2 — CID 163509017

IUPAC7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESCC(C)=C1c2ccsc2-c2sccc21
InChIInChI=1S/C12H10S2/c1-7(2)10-8-3-5-13-11(8)12-9(10)4-6-14-12/h3-6H,1-2H3
InChIKeyDBBOSMATUWJKKS-UHFFFAOYSA-N
MW218.35 g/mol
LogP4.63
Rot. Bonds

About 7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 163509017) has the molecular formula C12H10S2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Name7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID163509017
Molecular FormulaC12H10S2
Molecular Weight218.35 g/mol
Exact Mass218.02
IUPAC Name7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESCC(C)=C1c2ccsc2-c2sccc21
InChIInChI=1S/C12H10S2/c1-7(2)10-8-3-5-13-11(8)12-9(10)4-6-14-12/h3-6H,1-2H3
InChIKeyDBBOSMATUWJKKS-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene with MolForge

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Related Compounds

2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59340364
8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one
CID 101406491
5,5-dihydroxycyclopenta[b]thiophene-4,6-dione
CID 10910210
ethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione
CID 143843331
2-amino-4-(3-methylthiophen-2-yl)thiophene-3-carboxamide
CID 63993197
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 14290121
3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene
CID 132568835
bis(2-iodothiophen-3-yl)methanone;3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-one
CID 158145052
(3-thiophen-2-ylthiophen-2-yl) acetate
CID 174391854
2-(2-hydroxyphenyl)thiophen-3-ol
CID 132511067
3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene
CID 67533042
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of 7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 163509017) is 7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for 7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for 7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is CC(C)=C1c2ccsc2-c2sccc21.
What is the InChIKey of 7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is DBBOSMATUWJKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S2/c1-7(2)10-8-3-5-13-11(8)12-9(10)4-6-14-12/h3-6H,1-2H3.
What are the key properties of 7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 218.35 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylidene-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 163509017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).