ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene

C15H22OSV — CID 143693088

IUPACethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene
SMILESC=[V].CC.CCCOc1ccc2sc(C)cc2c1
InChIInChI=1S/C12H14OS.C2H6.CH2.V/c1-3-6-13-11-4-5-12-10(8-11)7-9(2)14-12;1-2;;/h4-5,7-8H,3,6H2,1-2H3;1-2H3;1H2;
InChIKeyXVNBUPMZNZJKSV-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.99
Rot. Bonds3

About ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene

ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene (PubChem CID 143693088) has the molecular formula C15H22OSV and a molecular weight of 301.35 g/mol. Its IUPAC name is ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene.

Molecular Properties

Compound Nameethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene
PubChem CID143693088
Molecular FormulaC15H22OSV
Molecular Weight301.35 g/mol
Exact Mass301.08
IUPAC Nameethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene
SMILESC=[V].CC.CCCOc1ccc2sc(C)cc2c1
InChIInChI=1S/C12H14OS.C2H6.CH2.V/c1-3-6-13-11-4-5-12-10(8-11)7-9(2)14-12;1-2;;/h4-5,7-8H,3,6H2,1-2H3;1-2H3;1H2;
InChIKeyXVNBUPMZNZJKSV-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene 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-chloro-2-methyl-1-benzothiophene;ethane;propane
CID 142538359
2-bromo-6-propoxy-1,3-benzothiazole
CID 97033817
1,2-dimethyl-4-propoxybenzene
CID 23549082
2-chloro-6-propoxynaphthalene
CID 125116367
5-butoxy-1-benzothiophene
CID 23058090
2-butoxy-6-methylnaphthalene
CID 58718847
2,8-dipentoxydibenzothiophene
CID 141427401
5-chloro-2-methyl-1-benzothiophene
CID 2747689
N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine
CID 67163885
N-ethyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82105820
(5-propoxy-1-benzofuran-2-yl)oxyboronic acid
CID 54485072
CID 57452703
CID 57452703

Frequently Asked Questions

What is the IUPAC name of ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene?
The IUPAC name of ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene (CID 143693088) is ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene.
What is the SMILES notation for ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene?
The canonical SMILES for ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene is C=[V].CC.CCCOc1ccc2sc(C)cc2c1.
What is the InChIKey of ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene?
The InChIKey is XVNBUPMZNZJKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS.C2H6.CH2.V/c1-3-6-13-11-4-5-12-10(8-11)7-9(2)14-12;1-2;;/h4-5,7-8H,3,6H2,1-2H3;1-2H3;1H2;.
What are the key properties of ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene?
ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene has a molecular weight of 301.35 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene is sourced from PubChem (CID 143693088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).