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

Analyze ethane;4-methyl-3,4-dihydro-2H-thiochromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2,3,4,5-tetrahydro-1-benzothiepine
CID 19935526
4-iodo-3,4-dihydro-2H-thiochromene
CID 70353401
ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
CID 144911983
CID 58450291
CID 58450291
3,4-dihydro-2H-thiochromen-4-ylmethanamine
CID 82409281
lithium 3,4-dihydro-2H-thiochromen-4-olate
CID 20660965
7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
CID 144911984
ethane;4-methyl-3,4-dihydro-2H-thiochromene-7-carbonitrile
CID 144911990
ethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene
CID 142608891
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine
CID 83006635
7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene
CID 121216944
3,4-dihydro-2H-thiochromen-4-ylboronic acid
CID 175595029

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).