ethane;4-methyl-3,4-dihydro-2H-thiochromene

C12H18S — CID 143216887

IUPACethane;4-methyl-3,4-dihydro-2H-thiochromene
SMILESCC.CC1CCSc2ccccc21
InChIInChI=1S/C10H12S.C2H6/c1-8-6-7-11-10-5-3-2-4-9(8)10;1-2/h2-5,8H,6-7H2,1H3;1-2H3
InChIKeyCMAWXGABQUVHDX-UHFFFAOYSA-N
MW194.34 g/mol
LogP4.31
Rot. Bonds

About ethane;4-methyl-3,4-dihydro-2H-thiochromene

ethane;4-methyl-3,4-dihydro-2H-thiochromene (PubChem CID 143216887) has the molecular formula C12H18S and a molecular weight of 194.34 g/mol. Its IUPAC name is ethane;4-methyl-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Nameethane;4-methyl-3,4-dihydro-2H-thiochromene
PubChem CID143216887
Molecular FormulaC12H18S
Molecular Weight194.34 g/mol
Exact Mass194.11
IUPAC Nameethane;4-methyl-3,4-dihydro-2H-thiochromene
SMILESCC.CC1CCSc2ccccc21
InChIInChI=1S/C10H12S.C2H6/c1-8-6-7-11-10-5-3-2-4-9(8)10;1-2/h2-5,8H,6-7H2,1H3;1-2H3
InChIKeyCMAWXGABQUVHDX-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3,4-dihydro-2H-thiochromene?
The IUPAC name of ethane;4-methyl-3,4-dihydro-2H-thiochromene (CID 143216887) is ethane;4-methyl-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for ethane;4-methyl-3,4-dihydro-2H-thiochromene?
The canonical SMILES for ethane;4-methyl-3,4-dihydro-2H-thiochromene is CC.CC1CCSc2ccccc21.
What is the InChIKey of ethane;4-methyl-3,4-dihydro-2H-thiochromene?
The InChIKey is CMAWXGABQUVHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S.C2H6/c1-8-6-7-11-10-5-3-2-4-9(8)10;1-2/h2-5,8H,6-7H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-3,4-dihydro-2H-thiochromene?
ethane;4-methyl-3,4-dihydro-2H-thiochromene has a molecular weight of 194.34 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 143216887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).