(4-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone

C11H9NOS2 — CID 22716775

IUPAC(4-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone
SMILESCSc1ccc(C(=O)c2nccs2)cc1
InChIInChI=1S/C11H9NOS2/c1-14-9-4-2-8(3-5-9)10(13)11-12-6-7-15-11/h2-7H,1H3
InChIKeyVIOXDUBULWKSMA-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.10
Rot. Bonds3

About (4-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone

(4-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone (PubChem CID 22716775) has the molecular formula C11H9NOS2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone
PubChem CID22716775
Molecular FormulaC11H9NOS2
Molecular Weight235.33 g/mol
Exact Mass235.01
IUPAC Name(4-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone
SMILESCSc1ccc(C(=O)c2nccs2)cc1
InChIInChI=1S/C11H9NOS2/c1-14-9-4-2-8(3-5-9)10(13)11-12-6-7-15-11/h2-7H,1H3
InChIKeyVIOXDUBULWKSMA-UHFFFAOYSA-N
XLogP3.10
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone?
The IUPAC name of (4-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone (CID 22716775) is (4-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (4-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for (4-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone is CSc1ccc(C(=O)c2nccs2)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone?
The InChIKey is VIOXDUBULWKSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS2/c1-14-9-4-2-8(3-5-9)10(13)11-12-6-7-15-11/h2-7H,1H3.
What are the key properties of (4-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone?
(4-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 22716775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).