2-methyl-1H-cyclopenta[b][1]benzothiole

C12H10S — CID 68583963

IUPAC2-methyl-1H-cyclopenta[b][1]benzothiole
SMILESCC1=Cc2sc3ccccc3c2C1
InChIInChI=1S/C12H10S/c1-8-6-10-9-4-2-3-5-11(9)13-12(10)7-8/h2-5,7H,6H2,1H3
InChIKeyBPRYKEYHGZHQCX-UHFFFAOYSA-N
MW186.28 g/mol
LogP3.86
Rot. Bonds

About 2-methyl-1H-cyclopenta[b][1]benzothiole

2-methyl-1H-cyclopenta[b][1]benzothiole (PubChem CID 68583963) has the molecular formula C12H10S and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-methyl-1H-cyclopenta[b][1]benzothiole.

Molecular Properties

Compound Name2-methyl-1H-cyclopenta[b][1]benzothiole
PubChem CID68583963
Molecular FormulaC12H10S
Molecular Weight186.28 g/mol
Exact Mass186.05
IUPAC Name2-methyl-1H-cyclopenta[b][1]benzothiole
SMILESCC1=Cc2sc3ccccc3c2C1
InChIInChI=1S/C12H10S/c1-8-6-10-9-4-2-3-5-11(9)13-12(10)7-8/h2-5,7H,6H2,1H3
InChIKeyBPRYKEYHGZHQCX-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene
CID 11287706
10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,14,16,18-octaene
CID 118650281
bis(dibenzothiophene);ethane
CID 143921746
(13E)-13-methyl-3,24-dithiapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(17),2(10),4,6,8,13,18,20,22-nonaene
CID 177433786
7-bromo-8H-cyclohepta[b][1]benzothiole
CID 167056462
2-bromo-1,2-dihydrodibenzothiophene
CID 135176935
dibenzothiophene;formaldehyde
CID 20556925
3-bromo-2-methylthiochromen-4-one
CID 119090270
dibenzothiophene;methane
CID 162233710
3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene
CID 145354620
CID 172736584
CID 172736584
2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene
CID 11143270

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-cyclopenta[b][1]benzothiole?
The IUPAC name of 2-methyl-1H-cyclopenta[b][1]benzothiole (CID 68583963) is 2-methyl-1H-cyclopenta[b][1]benzothiole.
What is the SMILES notation for 2-methyl-1H-cyclopenta[b][1]benzothiole?
The canonical SMILES for 2-methyl-1H-cyclopenta[b][1]benzothiole is CC1=Cc2sc3ccccc3c2C1.
What is the InChIKey of 2-methyl-1H-cyclopenta[b][1]benzothiole?
The InChIKey is BPRYKEYHGZHQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S/c1-8-6-10-9-4-2-3-5-11(9)13-12(10)7-8/h2-5,7H,6H2,1H3.
What are the key properties of 2-methyl-1H-cyclopenta[b][1]benzothiole?
2-methyl-1H-cyclopenta[b][1]benzothiole has a molecular weight of 186.28 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-cyclopenta[b][1]benzothiole is sourced from PubChem (CID 68583963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).