(5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride

C26H22Cl2O2STi-2 — CID 19351853

IUPAC(5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride
SMILESCc1ccc(C=[Ti])s1.Oc1cccc2ccccc12.Oc1cccc2ccccc12.[Cl-].[Cl-]
InChIInChI=1S/2C10H8O.C6H6S.2ClH.Ti/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;1-5-3-4-6(2)7-5;;;/h2*1-7,11H;1,3-4H,2H3;2*1H;/p-2
InChIKeyHXZNWPYXBNXSLY-UHFFFAOYSA-L
MW517.30 g/mol
LogP0.85
Rot. Bonds1

About (5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride

(5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride (PubChem CID 19351853) has the molecular formula C26H22Cl2O2STi-2 and a molecular weight of 517.30 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride
PubChem CID19351853
Molecular FormulaC26H22Cl2O2STi-2
Molecular Weight517.30 g/mol
Exact Mass516.02
IUPAC Name(5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride
SMILESCc1ccc(C=[Ti])s1.Oc1cccc2ccccc12.Oc1cccc2ccccc12.[Cl-].[Cl-]
InChIInChI=1S/2C10H8O.C6H6S.2ClH.Ti/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;1-5-3-4-6(2)7-5;;;/h2*1-7,11H;1,3-4H,2H3;2*1H;/p-2
InChIKeyHXZNWPYXBNXSLY-UHFFFAOYSA-L
XLogP0.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride?
The IUPAC name of (5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride (CID 19351853) is (5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride.
What is the SMILES notation for (5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride?
The canonical SMILES for (5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride is Cc1ccc(C=[Ti])s1.Oc1cccc2ccccc12.Oc1cccc2ccccc12.[Cl-].[Cl-].
What is the InChIKey of (5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride?
The InChIKey is HXZNWPYXBNXSLY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8O.C6H6S.2ClH.Ti/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;1-5-3-4-6(2)7-5;;;/h2*1-7,11H;1,3-4H,2H3;2*1H;/p-2.
What are the key properties of (5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride?
(5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride has a molecular weight of 517.30 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride is sourced from PubChem (CID 19351853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).