6-methylsulfanyl-1H-indole-3-thiol

C9H9NS2 — CID 135201040

IUPAC6-methylsulfanyl-1H-indole-3-thiol
SMILESCSc1ccc2c(S)c[nH]c2c1
InChIInChI=1S/C9H9NS2/c1-12-6-2-3-7-8(4-6)10-5-9(7)11/h2-5,10-11H,1H3
InChIKeyYDVUWGJPELFZIT-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.18
Rot. Bonds1

About 6-methylsulfanyl-1H-indole-3-thiol

6-methylsulfanyl-1H-indole-3-thiol (PubChem CID 135201040) has the molecular formula C9H9NS2 and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-methylsulfanyl-1H-indole-3-thiol.

Molecular Properties

Compound Name6-methylsulfanyl-1H-indole-3-thiol
PubChem CID135201040
Molecular FormulaC9H9NS2
Molecular Weight195.31 g/mol
Exact Mass195.02
IUPAC Name6-methylsulfanyl-1H-indole-3-thiol
SMILESCSc1ccc2c(S)c[nH]c2c1
InChIInChI=1S/C9H9NS2/c1-12-6-2-3-7-8(4-6)10-5-9(7)11/h2-5,10-11H,1H3
InChIKeyYDVUWGJPELFZIT-UHFFFAOYSA-N
XLogP3.18
TPSA15.79 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-methylsulfanyl-1H-indole-3-sulfinate
CID 135201041
ethane;3-ethyl-5-methylsulfanyl-1H-indole
CID 142069450
methyl 5-methylsulfanyl-1H-indole-3-carboxylate
CID 89470406
2-(ethylideneamino)-5-methylsulfanylbenzenethiol
CID 142940027
6-chloro-1H-indole-3-thiol;2-fluoro-4-(trifluoromethyl)aniline
CID 142393252
ethane;6-fluoro-3-methyl-1H-indole
CID 142460316
6-methylsulfanyl-3-sulfanyl-1-benzothiophen-2-ol
CID 130941211
6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 61092128
methyl 3-formyl-6-methylsulfanyl-1H-indole-2-carboxylate
CID 162683596
2-(3-sulfanyl-1H-indol-6-yl)ethyl 4-methylbenzenesulfonate
CID 89112132
2-amino-3-(5-methylsulfanyl-1H-indol-3-yl)propanoic acid
CID 86104362
3,15-dimethyl-6,18-bis(methylsulfanyl)-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 70938456

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-1H-indole-3-thiol?
The IUPAC name of 6-methylsulfanyl-1H-indole-3-thiol (CID 135201040) is 6-methylsulfanyl-1H-indole-3-thiol.
What is the SMILES notation for 6-methylsulfanyl-1H-indole-3-thiol?
The canonical SMILES for 6-methylsulfanyl-1H-indole-3-thiol is CSc1ccc2c(S)c[nH]c2c1.
What is the InChIKey of 6-methylsulfanyl-1H-indole-3-thiol?
The InChIKey is YDVUWGJPELFZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS2/c1-12-6-2-3-7-8(4-6)10-5-9(7)11/h2-5,10-11H,1H3.
What are the key properties of 6-methylsulfanyl-1H-indole-3-thiol?
6-methylsulfanyl-1H-indole-3-thiol has a molecular weight of 195.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1H-indole-3-thiol is sourced from PubChem (CID 135201040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).