(12-methyl-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-7-yl)phosphane

C11H12NPS2 — CID 145380137

IUPAC(12-methyl-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-7-yl)phosphane
SMILESCc1cc2c(s1)-c1sccc1N(P)CC2
InChIInChI=1S/C11H12NPS2/c1-7-6-8-2-4-12(13)9-3-5-14-11(9)10(8)15-7/h3,5-6H,2,4,13H2,1H3
InChIKeyVRJVSHATMXMAFA-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.94
Rot. Bonds

About (12-methyl-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-7-yl)phosphane

(12-methyl-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-7-yl)phosphane (PubChem CID 145380137) has the molecular formula C11H12NPS2 and a molecular weight of 253.33 g/mol. Its IUPAC name is (12-methyl-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-7-yl)phosphane.

Molecular Properties

Compound Name(12-methyl-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-7-yl)phosphane
PubChem CID145380137
Molecular FormulaC11H12NPS2
Molecular Weight253.33 g/mol
Exact Mass253.01
IUPAC Name(12-methyl-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-7-yl)phosphane
SMILESCc1cc2c(s1)-c1sccc1N(P)CC2
InChIInChI=1S/C11H12NPS2/c1-7-6-8-2-4-12(13)9-3-5-14-11(9)10(8)15-7/h3,5-6H,2,4,13H2,1H3
InChIKeyVRJVSHATMXMAFA-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (12-methyl-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-7-yl)phosphane?
The IUPAC name of (12-methyl-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-7-yl)phosphane (CID 145380137) is (12-methyl-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-7-yl)phosphane.
What is the SMILES notation for (12-methyl-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-7-yl)phosphane?
The canonical SMILES for (12-methyl-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-7-yl)phosphane is Cc1cc2c(s1)-c1sccc1N(P)CC2.
What is the InChIKey of (12-methyl-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-7-yl)phosphane?
The InChIKey is VRJVSHATMXMAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NPS2/c1-7-6-8-2-4-12(13)9-3-5-14-11(9)10(8)15-7/h3,5-6H,2,4,13H2,1H3.
What are the key properties of (12-methyl-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-7-yl)phosphane?
(12-methyl-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-7-yl)phosphane has a molecular weight of 253.33 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (12-methyl-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-7-yl)phosphane is sourced from PubChem (CID 145380137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).