dimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane

C11H11PS3 — CID 157062836

IUPACdimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane
SMILESC=P(C)(C)c1cc2sc3ccsc3c2s1
InChIInChI=1S/C11H11PS3/c1-12(2,3)9-6-8-11(15-9)10-7(14-8)4-5-13-10/h4-6H,1H2,2-3H3
InChIKeyXXOABKCQLZBBIK-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.51
Rot. Bonds1

About dimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane

dimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane (PubChem CID 157062836) has the molecular formula C11H11PS3 and a molecular weight of 270.38 g/mol. Its IUPAC name is dimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane.

Molecular Properties

Compound Namedimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane
PubChem CID157062836
Molecular FormulaC11H11PS3
Molecular Weight270.38 g/mol
Exact Mass269.98
IUPAC Namedimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane
SMILESC=P(C)(C)c1cc2sc3ccsc3c2s1
InChIInChI=1S/C11H11PS3/c1-12(2,3)9-6-8-11(15-9)10-7(14-8)4-5-13-10/h4-6H,1H2,2-3H3
InChIKeyXXOABKCQLZBBIK-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-thiol
CID 175953151
4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 126710615
4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 131860132
CID 58455822
CID 58455822
4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 122208058
2-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyridin-4-amine
CID 132552646
dibenzothiophene;9,10-dimethylphenanthrene;3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 145347991
5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 170275089
thieno[3,2-b][1]benzothiole
CID 605457
10,11-dimethyl-4,8,13,17-tetrathiapentacyclo[10.6.0.02,9.03,7.014,18]octadeca-1(12),2(9),3(7),5,10,14(18),15-heptaene
CID 58463273
2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 170275150
3,16-dimethyl-5,9,14,19,23-pentathiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),7,11,15,17(24),18(22),20-decaene
CID 58463259

Frequently Asked Questions

What is the IUPAC name of dimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane?
The IUPAC name of dimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane (CID 157062836) is dimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane.
What is the SMILES notation for dimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane?
The canonical SMILES for dimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane is C=P(C)(C)c1cc2sc3ccsc3c2s1.
What is the InChIKey of dimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane?
The InChIKey is XXOABKCQLZBBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11PS3/c1-12(2,3)9-6-8-11(15-9)10-7(14-8)4-5-13-10/h4-6H,1H2,2-3H3.
What are the key properties of dimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane?
dimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane has a molecular weight of 270.38 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane is sourced from PubChem (CID 157062836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).