7-methoxy-2-methylbenzo[g][1]benzothiole

C14H12OS — CID 5260119

IUPAC7-methoxy-2-methylbenzo[g][1]benzothiole
SMILESCOc1ccc2c(ccc3cc(C)sc32)c1
InChIInChI=1S/C14H12OS/c1-9-7-11-4-3-10-8-12(15-2)5-6-13(10)14(11)16-9/h3-8H,1-2H3
InChIKeyHCLCZYDZDKBAQU-UHFFFAOYSA-N
MW228.32 g/mol
LogP4.37
Rot. Bonds1

About 7-methoxy-2-methylbenzo[g][1]benzothiole

7-methoxy-2-methylbenzo[g][1]benzothiole (PubChem CID 5260119) has the molecular formula C14H12OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 7-methoxy-2-methylbenzo[g][1]benzothiole.

Molecular Properties

Compound Name7-methoxy-2-methylbenzo[g][1]benzothiole
PubChem CID5260119
Molecular FormulaC14H12OS
Molecular Weight228.32 g/mol
Exact Mass228.06
IUPAC Name7-methoxy-2-methylbenzo[g][1]benzothiole
SMILESCOc1ccc2c(ccc3cc(C)sc32)c1
InChIInChI=1S/C14H12OS/c1-9-7-11-4-3-10-8-12(15-2)5-6-13(10)14(11)16-9/h3-8H,1-2H3
InChIKeyHCLCZYDZDKBAQU-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,17-dimethoxy-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
CID 135231094
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole
CID 10494953
2,6-dimethoxy-1-methylnaphthalene
CID 68950467
7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene
CID 58410706
7-methylthieno[3,2-g][1]benzothiol-2-amine
CID 129228320
1,3,7-trimethoxynaphthalene
CID 102088907
4,7-dimethoxy-2-methyl-1-benzothiophene
CID 22890914
3,6-dimethoxy-1-methylisoquinoline
CID 169285036
2,6-dimethoxy-1-(4-methoxyphenyl)naphthalene
CID 139203574
ethane;2-methylthieno[3,2-g][1]benzothiole
CID 145022999
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methylbenzo[g][1]benzothiole?
The IUPAC name of 7-methoxy-2-methylbenzo[g][1]benzothiole (CID 5260119) is 7-methoxy-2-methylbenzo[g][1]benzothiole.
What is the SMILES notation for 7-methoxy-2-methylbenzo[g][1]benzothiole?
The canonical SMILES for 7-methoxy-2-methylbenzo[g][1]benzothiole is COc1ccc2c(ccc3cc(C)sc32)c1.
What is the InChIKey of 7-methoxy-2-methylbenzo[g][1]benzothiole?
The InChIKey is HCLCZYDZDKBAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS/c1-9-7-11-4-3-10-8-12(15-2)5-6-13(10)14(11)16-9/h3-8H,1-2H3.
What are the key properties of 7-methoxy-2-methylbenzo[g][1]benzothiole?
7-methoxy-2-methylbenzo[g][1]benzothiole has a molecular weight of 228.32 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methylbenzo[g][1]benzothiole is sourced from PubChem (CID 5260119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).