8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

C10H8N2S2 — CID 13182988

IUPAC8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCSc1nc2sccc2n2cccc12
InChIInChI=1S/C10H8N2S2/c1-13-9-7-3-2-5-12(7)8-4-6-14-10(8)11-9/h2-6H,1H3
InChIKeyMQZOKCQRLLDNLB-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.27
Rot. Bonds1

About 8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (PubChem CID 13182988) has the molecular formula C10H8N2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.

Molecular Properties

Compound Name8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
PubChem CID13182988
Molecular FormulaC10H8N2S2
Molecular Weight220.32 g/mol
Exact Mass220.01
IUPAC Name8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCSc1nc2sccc2n2cccc12
InChIInChI=1S/C10H8N2S2/c1-13-9-7-3-2-5-12(7)8-4-6-14-10(8)11-9/h2-6H,1H3
InChIKeyMQZOKCQRLLDNLB-UHFFFAOYSA-N
XLogP3.27
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene 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

N-(propan-2-ylideneamino)-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine
CID 13182974
N,N-dimethyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-amine
CID 102083027
3-thia-1,7,13,14-tetrazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,8,10,12-pentaen-15-one
CID 13182984
2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine
CID 162356516
(4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336570
4-ethylpyrrolo[1,2-a]quinoxaline
CID 102458762
fluoroboronic acid;2-methyl-4-methylsulfanylthieno[2,3-d]pyrimidine
CID 70481252
3-thia-1,7,8,9,10-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,8,10,12,14-hexaene
CID 12735607
6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine
CID 58517811
N-benzyl-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 15418483
8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 70049887
2-methylsulfanyl-3-thiophen-2-ylpyrazine
CID 123525610

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The IUPAC name of 8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (CID 13182988) is 8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.
What is the SMILES notation for 8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The canonical SMILES for 8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is CSc1nc2sccc2n2cccc12.
What is the InChIKey of 8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The InChIKey is MQZOKCQRLLDNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S2/c1-13-9-7-3-2-5-12(7)8-4-6-14-10(8)11-9/h2-6H,1H3.
What are the key properties of 8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene has a molecular weight of 220.32 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfanyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is sourced from PubChem (CID 13182988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).