3-iodo-1-methyl-2-methylsulfanylindole

C10H10INS — CID 125490315

IUPAC3-iodo-1-methyl-2-methylsulfanylindole
SMILESCSc1c(I)c2ccccc2n1C
InChIInChI=1S/C10H10INS/c1-12-8-6-4-3-5-7(8)9(11)10(12)13-2/h3-6H,1-2H3
InChIKeyGEYMPYFXGZSFLT-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.50
Rot. Bonds1

About 3-iodo-1-methyl-2-methylsulfanylindole

3-iodo-1-methyl-2-methylsulfanylindole (PubChem CID 125490315) has the molecular formula C10H10INS and a molecular weight of 303.17 g/mol. Its IUPAC name is 3-iodo-1-methyl-2-methylsulfanylindole.

Molecular Properties

Compound Name3-iodo-1-methyl-2-methylsulfanylindole
PubChem CID125490315
Molecular FormulaC10H10INS
Molecular Weight303.17 g/mol
Exact Mass302.96
IUPAC Name3-iodo-1-methyl-2-methylsulfanylindole
SMILESCSc1c(I)c2ccccc2n1C
InChIInChI=1S/C10H10INS/c1-12-8-6-4-3-5-7(8)9(11)10(12)13-2/h3-6H,1-2H3
InChIKeyGEYMPYFXGZSFLT-UHFFFAOYSA-N
XLogP3.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-diiodo-1-methylindole
CID 10762499
3-iodo-1,2-dimethylindole
CID 19093282
3-iodo-1-methyl-2-(trifluoromethyl)indole
CID 165178888
ethane;bis(9-methylcarbazole)
CID 159710949
ethane;9-methylcarbazole;triphenylene
CID 142356751
2-iodo-1-methyl-3-phenylindole
CID 76846489
4-(3-iodo-1-methylindol-2-yl)-2-methylbut-3-yn-2-ol
CID 12839095
1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol
CID 102430889
5-methylphenanthridine-6-thione
CID 71374474
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
1-fluoro-9-methylcarbazole
CID 139447921
ethane;1,2,3-trimethylindole
CID 91590745

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-methyl-2-methylsulfanylindole?
The IUPAC name of 3-iodo-1-methyl-2-methylsulfanylindole (CID 125490315) is 3-iodo-1-methyl-2-methylsulfanylindole.
What is the SMILES notation for 3-iodo-1-methyl-2-methylsulfanylindole?
The canonical SMILES for 3-iodo-1-methyl-2-methylsulfanylindole is CSc1c(I)c2ccccc2n1C.
What is the InChIKey of 3-iodo-1-methyl-2-methylsulfanylindole?
The InChIKey is GEYMPYFXGZSFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INS/c1-12-8-6-4-3-5-7(8)9(11)10(12)13-2/h3-6H,1-2H3.
What are the key properties of 3-iodo-1-methyl-2-methylsulfanylindole?
3-iodo-1-methyl-2-methylsulfanylindole has a molecular weight of 303.17 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-methyl-2-methylsulfanylindole is sourced from PubChem (CID 125490315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).