7-cyclopropyl-4-methylsulfanyl-2,1,3-benzothiadiazole

C10H10N2S2 — CID 157433230

IUPAC7-cyclopropyl-4-methylsulfanyl-2,1,3-benzothiadiazole
SMILESCSc1ccc(C2CC2)c2nsnc12
InChIInChI=1S/C10H10N2S2/c1-13-8-5-4-7(6-2-3-6)9-10(8)12-14-11-9/h4-6H,2-3H2,1H3
InChIKeyBQUHKUMXNJSEMP-UHFFFAOYSA-N
MW222.34 g/mol
LogP3.29
Rot. Bonds2

About 7-cyclopropyl-4-methylsulfanyl-2,1,3-benzothiadiazole

7-cyclopropyl-4-methylsulfanyl-2,1,3-benzothiadiazole (PubChem CID 157433230) has the molecular formula C10H10N2S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is 7-cyclopropyl-4-methylsulfanyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name7-cyclopropyl-4-methylsulfanyl-2,1,3-benzothiadiazole
PubChem CID157433230
Molecular FormulaC10H10N2S2
Molecular Weight222.34 g/mol
Exact Mass222.03
IUPAC Name7-cyclopropyl-4-methylsulfanyl-2,1,3-benzothiadiazole
SMILESCSc1ccc(C2CC2)c2nsnc12
InChIInChI=1S/C10H10N2S2/c1-13-8-5-4-7(6-2-3-6)9-10(8)12-14-11-9/h4-6H,2-3H2,1H3
InChIKeyBQUHKUMXNJSEMP-UHFFFAOYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-5-methylsulfanyl-1H-indazole
CID 167157837
4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane
CID 178049216
5-bromo-8-cyclopropylquinoxaline
CID 172993584
8-cyclopropylquinoline
CID 66823369
(2-cyclopropyl-3-methylsulfanylphenyl)methanol
CID 118269154
2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene
CID 118269230
4-cyclopropyl-1,3-benzothiazol-2-amine
CID 54029954
4-cyclopropyl-2-methylsulfanylaniline
CID 134439022
[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)pyrrolidin-2-yl]methanol
CID 172905699
4-cyclopropyl-3-fluorobenzene-1,2-diamine
CID 174232109
3-cyclopropyl-6-ethyl-2-fluoropyridine
CID 165140401
1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene
CID 138498139

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-4-methylsulfanyl-2,1,3-benzothiadiazole?
The IUPAC name of 7-cyclopropyl-4-methylsulfanyl-2,1,3-benzothiadiazole (CID 157433230) is 7-cyclopropyl-4-methylsulfanyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 7-cyclopropyl-4-methylsulfanyl-2,1,3-benzothiadiazole?
The canonical SMILES for 7-cyclopropyl-4-methylsulfanyl-2,1,3-benzothiadiazole is CSc1ccc(C2CC2)c2nsnc12.
What is the InChIKey of 7-cyclopropyl-4-methylsulfanyl-2,1,3-benzothiadiazole?
The InChIKey is BQUHKUMXNJSEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S2/c1-13-8-5-4-7(6-2-3-6)9-10(8)12-14-11-9/h4-6H,2-3H2,1H3.
What are the key properties of 7-cyclopropyl-4-methylsulfanyl-2,1,3-benzothiadiazole?
7-cyclopropyl-4-methylsulfanyl-2,1,3-benzothiadiazole has a molecular weight of 222.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-4-methylsulfanyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 157433230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).