3-methyl-1-benzothiophene;zinc

C9H8SZn — CID 70563074

IUPAC3-methyl-1-benzothiophene;zinc
SMILESCc1csc2ccccc12.[Zn]
InChIInChI=1S/C9H8S.Zn/c1-7-6-10-9-5-3-2-4-8(7)9;/h2-6H,1H3;
InChIKeyOFAZPVAFYHSYQI-UHFFFAOYSA-N
MW213.62 g/mol
LogP3.21
Rot. Bonds

About 3-methyl-1-benzothiophene;zinc

3-methyl-1-benzothiophene;zinc (PubChem CID 70563074) has the molecular formula C9H8SZn and a molecular weight of 213.62 g/mol. Its IUPAC name is 3-methyl-1-benzothiophene;zinc.

Molecular Properties

Compound Name3-methyl-1-benzothiophene;zinc
PubChem CID70563074
Molecular FormulaC9H8SZn
Molecular Weight213.62 g/mol
Exact Mass211.96
IUPAC Name3-methyl-1-benzothiophene;zinc
SMILESCc1csc2ccccc12.[Zn]
InChIInChI=1S/C9H8S.Zn/c1-7-6-10-9-5-3-2-4-8(7)9;/h2-6H,1H3;
InChIKeyOFAZPVAFYHSYQI-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene)
CID 142901816
3-methylbenzo[f][1]benzothiole
CID 129087639
potassium 1-benzothiophen-3-yl(trifluoro)boranuide
CID 117064430
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399
actinium;(3-methyl-1-benzothiophen-5-yl)azanide
CID 20824575
1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103400623
3-(1,1-difluoroethyl)-1-benzothiophene;ethane
CID 154677348
N-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine
CID 11680403
3-(dibromomethyl)-1-benzothiophene
CID 175195145
3-[1-benzothiophen-3-yl(chloro)methyl]-1-benzothiophene
CID 63433274
3-[bromo-(2,4-dimethylphenyl)methyl]-1-benzothiophene
CID 63437623
1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine
CID 116914688

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-benzothiophene;zinc?
The IUPAC name of 3-methyl-1-benzothiophene;zinc (CID 70563074) is 3-methyl-1-benzothiophene;zinc.
What is the SMILES notation for 3-methyl-1-benzothiophene;zinc?
The canonical SMILES for 3-methyl-1-benzothiophene;zinc is Cc1csc2ccccc12.[Zn].
What is the InChIKey of 3-methyl-1-benzothiophene;zinc?
The InChIKey is OFAZPVAFYHSYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S.Zn/c1-7-6-10-9-5-3-2-4-8(7)9;/h2-6H,1H3;.
What are the key properties of 3-methyl-1-benzothiophene;zinc?
3-methyl-1-benzothiophene;zinc has a molecular weight of 213.62 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-benzothiophene;zinc is sourced from PubChem (CID 70563074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).