11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C9H8N4S — CID 609340

IUPAC11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1sc2ncn3ncnc3c2c1C
InChIInChI=1S/C9H8N4S/c1-5-6(2)14-9-7(5)8-10-3-12-13(8)4-11-9/h3-4H,1-2H3
InChIKeyQULZRAJLUWHOKV-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.96
Rot. Bonds

About 11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 609340) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is 11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID609340
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC Name11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1sc2ncn3ncnc3c2c1C
InChIInChI=1S/C9H8N4S/c1-5-6(2)14-9-7(5)8-10-3-12-13(8)4-11-9/h3-4H,1-2H3
InChIKeyQULZRAJLUWHOKV-UHFFFAOYSA-N
XLogP1.96
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Dimethylthieno(2,3-d)pyrimidin-4-amine
CID 290232
(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-yl)-hydrazine
CID 722717
5,6-Dimethyl-4-(methylsulfanyl)thieno[2,3-D]pyrimidine
CID 865968
9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
CID 360857
9-Phenyltetrazolo[1,5-c]thieno[3,2-e]pyrimidine
CID 693917
8,9,10,11-Tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-c]pyrimidine
CID 696849
5,6-Dimethyl-4-(1-piperidinyl)thieno[2,3-d]pyrimidine
CID 677414
2-(8,9,10,11-Tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylsulfanyl)acetamide
CID 665843
8,9-Dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
CID 696845
4-Ethylthio-5,6-dimethylthiopheno[2,3-d]pyrimidine
CID 709438
2-(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile
CID 1704748
3-methyl-1-(1-methyltetrazol-5-yl)sulfanyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidine
CID 2371784

Frequently Asked Questions

What is the IUPAC name of 11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 609340) is 11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1sc2ncn3ncnc3c2c1C.
What is the InChIKey of 11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is QULZRAJLUWHOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S/c1-5-6(2)14-9-7(5)8-10-3-12-13(8)4-11-9/h3-4H,1-2H3.
What are the key properties of 11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 204.26 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 609340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).