1H-indol-3-yl-(2-methylsulfanylphenyl)methanone

C16H13NOS — CID 79214624

IUPAC1H-indol-3-yl-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13NOS/c1-19-15-9-5-3-7-12(15)16(18)13-10-17-14-8-4-2-6-11(13)14/h2-10,17H,1H3
InChIKeyHKDKJEPDEAGHPE-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.12
Rot. Bonds3

About 1H-indol-3-yl-(2-methylsulfanylphenyl)methanone

1H-indol-3-yl-(2-methylsulfanylphenyl)methanone (PubChem CID 79214624) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 1H-indol-3-yl-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl-(2-methylsulfanylphenyl)methanone
PubChem CID79214624
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name1H-indol-3-yl-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13NOS/c1-19-15-9-5-3-7-12(15)16(18)13-10-17-14-8-4-2-6-11(13)14/h2-10,17H,1H3
InChIKeyHKDKJEPDEAGHPE-UHFFFAOYSA-N
XLogP4.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone
CID 79215184
(2,3-difluorophenyl)-(1H-indol-3-yl)methanone
CID 62648503
sodium 1H-indole-3-carboxylate
CID 23698293
(4-bromonaphthalen-1-yl)-(2-methylsulfanylphenyl)methanone
CID 79593292
(2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one
CID 7964667
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
2,5-bis(2-methylsulfanylbenzoyl)terephthalic acid
CID 23586491
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
4-methylsulfanyl-1H-indole-3-carboxylic acid
CID 83916577
1H-indol-3-yl-(4-iodophenyl)methanone
CID 43339241
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(2-methylsulfanylphenyl)methanone?
The IUPAC name of 1H-indol-3-yl-(2-methylsulfanylphenyl)methanone (CID 79214624) is 1H-indol-3-yl-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for 1H-indol-3-yl-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for 1H-indol-3-yl-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl-(2-methylsulfanylphenyl)methanone?
The InChIKey is HKDKJEPDEAGHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-19-15-9-5-3-7-12(15)16(18)13-10-17-14-8-4-2-6-11(13)14/h2-10,17H,1H3.
What are the key properties of 1H-indol-3-yl-(2-methylsulfanylphenyl)methanone?
1H-indol-3-yl-(2-methylsulfanylphenyl)methanone has a molecular weight of 267.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 79214624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).