5-methyl-3,4-dihydro-1H-isothiochromene

C10H12S — CID 91411706

IUPAC5-methyl-3,4-dihydro-1H-isothiochromene
SMILESCc1cccc2c1CCSC2
InChIInChI=1S/C10H12S/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-4H,5-7H2,1H3
InChIKeyISBHGBNPQAFKNZ-UHFFFAOYSA-N
MW164.27 g/mol
LogP2.78
Rot. Bonds

About 5-methyl-3,4-dihydro-1H-isothiochromene

5-methyl-3,4-dihydro-1H-isothiochromene (PubChem CID 91411706) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 5-methyl-3,4-dihydro-1H-isothiochromene.

Molecular Properties

Compound Name5-methyl-3,4-dihydro-1H-isothiochromene
PubChem CID91411706
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name5-methyl-3,4-dihydro-1H-isothiochromene
SMILESCc1cccc2c1CCSC2
InChIInChI=1S/C10H12S/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-4H,5-7H2,1H3
InChIKeyISBHGBNPQAFKNZ-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dimethyl-3,4-dihydro-1H-isothiochromene
CID 176877421
8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene
CID 147775008
3,3,8-trimethyl-2,4-dihydro-1H-naphthalene
CID 59978113
10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene
CID 15782386
8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine
CID 142279468
2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145042992
5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine
CID 105441953
1,8-dimethyl-9,10-dihydrophenanthrene
CID 142741487
5-propan-2-yl-3,4-dihydro-1H-isothiochromene-6-carbonitrile
CID 96610343
N-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride
CID 18314183
2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine
CID 81267687
5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110456721

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-dihydro-1H-isothiochromene?
The IUPAC name of 5-methyl-3,4-dihydro-1H-isothiochromene (CID 91411706) is 5-methyl-3,4-dihydro-1H-isothiochromene.
What is the SMILES notation for 5-methyl-3,4-dihydro-1H-isothiochromene?
The canonical SMILES for 5-methyl-3,4-dihydro-1H-isothiochromene is Cc1cccc2c1CCSC2.
What is the InChIKey of 5-methyl-3,4-dihydro-1H-isothiochromene?
The InChIKey is ISBHGBNPQAFKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-4H,5-7H2,1H3.
What are the key properties of 5-methyl-3,4-dihydro-1H-isothiochromene?
5-methyl-3,4-dihydro-1H-isothiochromene has a molecular weight of 164.27 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-dihydro-1H-isothiochromene is sourced from PubChem (CID 91411706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).