7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-4-carbonitrile

C18H17NS — CID 101432762

IUPAC7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-4-carbonitrile
SMILESCSc1cc(-c2ccc(C)cc2)c2c(c1C#N)CCC2
InChIInChI=1S/C18H17NS/c1-12-6-8-13(9-7-12)16-10-18(20-2)17(11-19)15-5-3-4-14(15)16/h6-10H,3-5H2,1-2H3
InChIKeyQXGVZXFQRXEUOK-UHFFFAOYSA-N
MW279.41 g/mol
LogP4.74
Rot. Bonds2

About 7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-4-carbonitrile

7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 101432762) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is 7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

Compound Name7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-4-carbonitrile
PubChem CID101432762
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC Name7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-4-carbonitrile
SMILESCSc1cc(-c2ccc(C)cc2)c2c(c1C#N)CCC2
InChIInChI=1S/C18H17NS/c1-12-6-8-13(9-7-12)16-10-18(20-2)17(11-19)15-5-3-4-14(15)16/h6-10H,3-5H2,1-2H3
InChIKeyQXGVZXFQRXEUOK-UHFFFAOYSA-N
XLogP4.74
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(4-methylphenyl)-2-methylsulfanylbenzene
CID 143364745
4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
CID 82087393
3-[(3,4-dichlorophenyl)methylsulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 3766828
5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile
CID 156741244
2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile
CID 59975018
1-(4-methylphenyl)-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
CID 15026822
4-(3,4-dichlorophenyl)-2-methyl-6-methylsulfanyl-3-(methylsulfanylmethyl)benzonitrile
CID 102182888
4-(4-methylphenyl)-2-methylsulfanyl-6-[(E)-2-phenylethenyl]benzonitrile
CID 102175020
1,2,3,6,7,8-hexahydro-as-indacene-4,5-dicarbonitrile
CID 22157187
2,6-difluoro-4-(4-methylphenyl)benzonitrile
CID 20714839
7-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82450301
4,6-bis[(4-methylphenyl)sulfanyl]-2-methylsulfanylpyrimidine-5-carbonitrile
CID 2746989

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-4-carbonitrile?
The IUPAC name of 7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-4-carbonitrile (CID 101432762) is 7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-4-carbonitrile.
What is the SMILES notation for 7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-4-carbonitrile?
The canonical SMILES for 7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-4-carbonitrile is CSc1cc(-c2ccc(C)cc2)c2c(c1C#N)CCC2.
What is the InChIKey of 7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-4-carbonitrile?
The InChIKey is QXGVZXFQRXEUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c1-12-6-8-13(9-7-12)16-10-18(20-2)17(11-19)15-5-3-4-14(15)16/h6-10H,3-5H2,1-2H3.
What are the key properties of 7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-4-carbonitrile?
7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 279.41 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 101432762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).