(5-methylthiophen-3-yl)methylidenetitanium

C6H6STi — CID 19351912

IUPAC(5-methylthiophen-3-yl)methylidenetitanium
SMILESCc1cc(C=[Ti])cs1
InChIInChI=1S/C6H6S.Ti/c1-5-3-6(2)7-4-5;/h1,3-4H,2H3;
InChIKeyKJXBWYDUUMXULD-UHFFFAOYSA-N
MW158.05 g/mol
LogP1.75
Rot. Bonds1

About (5-methylthiophen-3-yl)methylidenetitanium

(5-methylthiophen-3-yl)methylidenetitanium (PubChem CID 19351912) has the molecular formula C6H6STi and a molecular weight of 158.05 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)methylidenetitanium.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)methylidenetitanium
PubChem CID19351912
Molecular FormulaC6H6STi
Molecular Weight158.05 g/mol
Exact Mass157.97
IUPAC Name(5-methylthiophen-3-yl)methylidenetitanium
SMILESCc1cc(C=[Ti])cs1
InChIInChI=1S/C6H6S.Ti/c1-5-3-6(2)7-4-5;/h1,3-4H,2H3;
InChIKeyKJXBWYDUUMXULD-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.05
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-methylthiophen-3-yl)prop-2-enenitrile
CID 169482992
4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde
CID 158194298
4-(4-bromobut-1-enyl)-2-methylthiophene
CID 79603021
2,4-dimethylthiophene;vanadium
CID 143324996
4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine
CID 130558835
N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine
CID 79590562
5-methylthiophen-3-amine
CID 6422232
CID 88861030
CID 88861030
(5-methylthiophen-3-yl)-λ2-stannane
CID 174573337
2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene
CID 901511
N-[3-(5-methylthiophen-3-yl)prop-2-enyl]acetamide
CID 169464817
4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine
CID 79591333

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)methylidenetitanium?
The IUPAC name of (5-methylthiophen-3-yl)methylidenetitanium (CID 19351912) is (5-methylthiophen-3-yl)methylidenetitanium.
What is the SMILES notation for (5-methylthiophen-3-yl)methylidenetitanium?
The canonical SMILES for (5-methylthiophen-3-yl)methylidenetitanium is Cc1cc(C=[Ti])cs1.
What is the InChIKey of (5-methylthiophen-3-yl)methylidenetitanium?
The InChIKey is KJXBWYDUUMXULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6S.Ti/c1-5-3-6(2)7-4-5;/h1,3-4H,2H3;.
What are the key properties of (5-methylthiophen-3-yl)methylidenetitanium?
(5-methylthiophen-3-yl)methylidenetitanium has a molecular weight of 158.05 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-3-yl)methylidenetitanium is sourced from PubChem (CID 19351912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).