10-methyl-3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-imine

C10H7NS2 — CID 163600619

IUPAC10-methyl-3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-imine
SMILES[H]/N=C1\c2ccsc2-c2cc(C)sc21
InChIInChI=1S/C10H7NS2/c1-5-4-7-9-6(2-3-12-9)8(11)10(7)13-5/h2-4,11H,1H3/b11-8+
InChIKeyGXHFYTUCTZAWQT-DHZHZOJOSA-N
MW205.31 g/mol
LogP3.51
Rot. Bonds

About 10-methyl-3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-imine

10-methyl-3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-imine (PubChem CID 163600619) has the molecular formula C10H7NS2 and a molecular weight of 205.31 g/mol. Its IUPAC name is 10-methyl-3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-imine.

Molecular Properties

Compound Name10-methyl-3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-imine
PubChem CID163600619
Molecular FormulaC10H7NS2
Molecular Weight205.31 g/mol
Exact Mass205.00
IUPAC Name10-methyl-3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-imine
SMILES[H]/N=C1\c2ccsc2-c2cc(C)sc21
InChIInChI=1S/C10H7NS2/c1-5-4-7-9-6(2-3-12-9)8(11)10(7)13-5/h2-4,11H,1H3/b11-8+
InChIKeyGXHFYTUCTZAWQT-DHZHZOJOSA-N
XLogP3.51
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-imine?
The IUPAC name of 10-methyl-3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-imine (CID 163600619) is 10-methyl-3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-imine.
What is the SMILES notation for 10-methyl-3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-imine?
The canonical SMILES for 10-methyl-3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-imine is [H]/N=C1\c2ccsc2-c2cc(C)sc21.
What is the InChIKey of 10-methyl-3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-imine?
The InChIKey is GXHFYTUCTZAWQT-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H7NS2/c1-5-4-7-9-6(2-3-12-9)8(11)10(7)13-5/h2-4,11H,1H3/b11-8+.
What are the key properties of 10-methyl-3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-imine?
10-methyl-3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-imine has a molecular weight of 205.31 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-imine is sourced from PubChem (CID 163600619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).