7-chloro-3-methylsulfanyl-1H-indol-2-ol

C9H8ClNOS — CID 141283816

IUPAC7-chloro-3-methylsulfanyl-1H-indol-2-ol
SMILESCSc1c(O)[nH]c2c(Cl)cccc12
InChIInChI=1S/C9H8ClNOS/c1-13-8-5-3-2-4-6(10)7(5)11-9(8)12/h2-4,11-12H,1H3
InChIKeyZRGJAGKDCBHHFS-UHFFFAOYSA-N
MW213.69 g/mol
LogP3.25
Rot. Bonds1

About 7-chloro-3-methylsulfanyl-1H-indol-2-ol

7-chloro-3-methylsulfanyl-1H-indol-2-ol (PubChem CID 141283816) has the molecular formula C9H8ClNOS and a molecular weight of 213.69 g/mol. Its IUPAC name is 7-chloro-3-methylsulfanyl-1H-indol-2-ol.

Molecular Properties

Compound Name7-chloro-3-methylsulfanyl-1H-indol-2-ol
PubChem CID141283816
Molecular FormulaC9H8ClNOS
Molecular Weight213.69 g/mol
Exact Mass213.00
IUPAC Name7-chloro-3-methylsulfanyl-1H-indol-2-ol
SMILESCSc1c(O)[nH]c2c(Cl)cccc12
InChIInChI=1S/C9H8ClNOS/c1-13-8-5-3-2-4-6(10)7(5)11-9(8)12/h2-4,11-12H,1H3
InChIKeyZRGJAGKDCBHHFS-UHFFFAOYSA-N
XLogP3.25
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2,7-dichloro-1H-indol-3-yl)ethanone
CID 82269325
2-chloro-3-methylsulfanylnaphthalene-1,4-diol
CID 163407165
2,3-dibromo-7-chloro-1H-indole
CID 12706664
1-chloro-2-methylsulfanyl-3-propan-2-ylbenzene
CID 142329867
2-methylsulfanylbenzene-1,3-diol
CID 68838462
7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide
CID 65335287
1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene
CID 155647803
CID 160556343
CID 160556343
2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one
CID 135423851
8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methylsulfanyl-1H-indol-2-ol?
The IUPAC name of 7-chloro-3-methylsulfanyl-1H-indol-2-ol (CID 141283816) is 7-chloro-3-methylsulfanyl-1H-indol-2-ol.
What is the SMILES notation for 7-chloro-3-methylsulfanyl-1H-indol-2-ol?
The canonical SMILES for 7-chloro-3-methylsulfanyl-1H-indol-2-ol is CSc1c(O)[nH]c2c(Cl)cccc12.
What is the InChIKey of 7-chloro-3-methylsulfanyl-1H-indol-2-ol?
The InChIKey is ZRGJAGKDCBHHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNOS/c1-13-8-5-3-2-4-6(10)7(5)11-9(8)12/h2-4,11-12H,1H3.
What are the key properties of 7-chloro-3-methylsulfanyl-1H-indol-2-ol?
7-chloro-3-methylsulfanyl-1H-indol-2-ol has a molecular weight of 213.69 g/mol, XLogP of 3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methylsulfanyl-1H-indol-2-ol is sourced from PubChem (CID 141283816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).