4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide

C13H16O2S — CID 53307808

IUPAC4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESCc1ccc2c(c1)C(C1CC1)CCS2(=O)=O
InChIInChI=1S/C13H16O2S/c1-9-2-5-13-12(8-9)11(10-3-4-10)6-7-16(13,14)15/h2,5,8,10-11H,3-4,6-7H2,1H3
InChIKeyGJDGNPXBOSFCHV-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.67
Rot. Bonds1

About 4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide

4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide (PubChem CID 53307808) has the molecular formula C13H16O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide.

Molecular Properties

Compound Name4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide
PubChem CID53307808
Molecular FormulaC13H16O2S
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Name4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESCc1ccc2c(c1)C(C1CC1)CCS2(=O)=O
InChIInChI=1S/C13H16O2S/c1-9-2-5-13-12(8-9)11(10-3-4-10)6-7-16(13,14)15/h2,5,8,10-11H,3-4,6-7H2,1H3
InChIKeyGJDGNPXBOSFCHV-UHFFFAOYSA-N
XLogP2.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4165
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CID 272513
Di-2,4-xylyl sulfone
CID 78859
2,2,6-Trimethylthiochromene 1-oxide
CID 4143337
1-(2-Methylpropyl)-4-methylsulfonylbenzene
CID 23559478
1-Ethylsulfonyl-2-phenylbenzene
CID 58553001
Mesityl phenyl sulfone
CID 345600
2,4-Dimethyl-1-(methylsulfonyl)benzene
CID 2758616
2,5,7-trimethyl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide
CID 11880124
4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide
CID 53307620
1,3,5-Trimethyl-2-(4-Pentyl-Benzenesulfonyl)-Benzene
CID 71561952
2-(4-Cyclohexyl-Benzenesulfonyl)-1,3,5-Trimethyl-Benzene
CID 71561953

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The IUPAC name of 4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide (CID 53307808) is 4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide.
What is the SMILES notation for 4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The canonical SMILES for 4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide is Cc1ccc2c(c1)C(C1CC1)CCS2(=O)=O.
What is the InChIKey of 4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The InChIKey is GJDGNPXBOSFCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2S/c1-9-2-5-13-12(8-9)11(10-3-4-10)6-7-16(13,14)15/h2,5,8,10-11H,3-4,6-7H2,1H3.
What are the key properties of 4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide?
4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide has a molecular weight of 236.34 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide is sourced from PubChem (CID 53307808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).