(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite

C10H5ClFN3S — CID 145132591

IUPAC(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite
SMILESFSn1c2ccncc2c2ccc(Cl)nc21
InChIInChI=1S/C10H5ClFN3S/c11-9-2-1-6-7-5-13-4-3-8(7)15(16-12)10(6)14-9/h1-5H
InChIKeyXCIJLLJAHLKWBZ-UHFFFAOYSA-N
MW253.69 g/mol
LogP3.62
Rot. Bonds1

About (11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite

(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite (PubChem CID 145132591) has the molecular formula C10H5ClFN3S and a molecular weight of 253.69 g/mol. Its IUPAC name is (11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite.

Molecular Properties

Compound Name(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite
PubChem CID145132591
Molecular FormulaC10H5ClFN3S
Molecular Weight253.69 g/mol
Exact Mass252.99
IUPAC Name(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite
SMILESFSn1c2ccncc2c2ccc(Cl)nc21
InChIInChI=1S/C10H5ClFN3S/c11-9-2-1-6-7-5-13-4-3-8(7)15(16-12)10(6)14-9/h1-5H
InChIKeyXCIJLLJAHLKWBZ-UHFFFAOYSA-N
XLogP3.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8-carboxylate
CID 118010769
11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 144891245
[8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite
CID 144891240
8-hydroxy-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118518246
CID 102142656
CID 102142656
CID 153328680
CID 153328680
2-chloro-1,7-naphthyridine
CID 20696625
N-(4-fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 118262333
11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 122446298
N-(5-fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 118262514
4-[2-(2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-4-yl)ethyl]-2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene
CID 58202809
4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine
CID 123761748

Frequently Asked Questions

What is the IUPAC name of (11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite?
The IUPAC name of (11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite (CID 145132591) is (11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite.
What is the SMILES notation for (11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite?
The canonical SMILES for (11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite is FSn1c2ccncc2c2ccc(Cl)nc21.
What is the InChIKey of (11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite?
The InChIKey is XCIJLLJAHLKWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFN3S/c11-9-2-1-6-7-5-13-4-3-8(7)15(16-12)10(6)14-9/h1-5H.
What are the key properties of (11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite?
(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite has a molecular weight of 253.69 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl) thiohypofluorite is sourced from PubChem (CID 145132591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).