5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole

C10H11NS2 — CID 142245671

IUPAC5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole
SMILESCSc1nc2cc(C)c(C)cc2s1
InChIInChI=1S/C10H11NS2/c1-6-4-8-9(5-7(6)2)13-10(11-8)12-3/h4-5H,1-3H3
InChIKeyXNFZURPDEBVOLM-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.64
Rot. Bonds1

About 5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole

5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole (PubChem CID 142245671) has the molecular formula C10H11NS2 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole.

Molecular Properties

Compound Name5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole
PubChem CID142245671
Molecular FormulaC10H11NS2
Molecular Weight209.34 g/mol
Exact Mass209.03
IUPAC Name5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole
SMILESCSc1nc2cc(C)c(C)cc2s1
InChIInChI=1S/C10H11NS2/c1-6-4-8-9(5-7(6)2)13-10(11-8)12-3/h4-5H,1-3H3
InChIKeyXNFZURPDEBVOLM-UHFFFAOYSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole?
The IUPAC name of 5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole (CID 142245671) is 5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole.
What is the SMILES notation for 5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole?
The canonical SMILES for 5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole is CSc1nc2cc(C)c(C)cc2s1.
What is the InChIKey of 5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole?
The InChIKey is XNFZURPDEBVOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS2/c1-6-4-8-9(5-7(6)2)13-10(11-8)12-3/h4-5H,1-3H3.
What are the key properties of 5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole?
5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole has a molecular weight of 209.34 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole is sourced from PubChem (CID 142245671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).