7-chloro-5-methylsulfanyl-1H-indazole

C8H7ClN2S — CID 167025504

IUPAC7-chloro-5-methylsulfanyl-1H-indazole
SMILESCSc1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C8H7ClN2S/c1-12-6-2-5-4-10-11-8(5)7(9)3-6/h2-4H,1H3,(H,10,11)
InChIKeyLRHIIVSLDCHKNF-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.94
Rot. Bonds1

About 7-chloro-5-methylsulfanyl-1H-indazole

7-chloro-5-methylsulfanyl-1H-indazole (PubChem CID 167025504) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 7-chloro-5-methylsulfanyl-1H-indazole.

Molecular Properties

Compound Name7-chloro-5-methylsulfanyl-1H-indazole
PubChem CID167025504
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name7-chloro-5-methylsulfanyl-1H-indazole
SMILESCSc1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C8H7ClN2S/c1-12-6-2-5-4-10-11-8(5)7(9)3-6/h2-4H,1H3,(H,10,11)
InChIKeyLRHIIVSLDCHKNF-UHFFFAOYSA-N
XLogP2.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-1H-indazole-5-carbonitrile
CID 66920531
7-chloro-5-(2-methylphenyl)-1H-indazole
CID 171662369
7-tert-butyl-5-chloro-6-methyl-1H-indazole
CID 176638883
7-chloro-5-(3-methylphenyl)-1H-indazole
CID 171662467
7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 75487344
(5-fluoro-1H-indazol-7-yl)boronic acid
CID 135396775
5-chloro-7-propan-2-yl-1H-indazole
CID 166818723
5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine
CID 137430974
methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate
CID 58864314
1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol
CID 134411510
7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole
CID 172815818
(5-chloro-1H-indazol-7-yl)methyl-ethyldiazene
CID 123947458

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methylsulfanyl-1H-indazole?
The IUPAC name of 7-chloro-5-methylsulfanyl-1H-indazole (CID 167025504) is 7-chloro-5-methylsulfanyl-1H-indazole.
What is the SMILES notation for 7-chloro-5-methylsulfanyl-1H-indazole?
The canonical SMILES for 7-chloro-5-methylsulfanyl-1H-indazole is CSc1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 7-chloro-5-methylsulfanyl-1H-indazole?
The InChIKey is LRHIIVSLDCHKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-12-6-2-5-4-10-11-8(5)7(9)3-6/h2-4H,1H3,(H,10,11).
What are the key properties of 7-chloro-5-methylsulfanyl-1H-indazole?
7-chloro-5-methylsulfanyl-1H-indazole has a molecular weight of 198.68 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methylsulfanyl-1H-indazole is sourced from PubChem (CID 167025504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).