(2-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone

C10H7NOS2 — CID 21394123

IUPAC(2-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)c1ccccc1S
InChIInChI=1S/C10H7NOS2/c12-9(10-11-5-6-14-10)7-3-1-2-4-8(7)13/h1-6,13H
InChIKeySXGQJTXOYTXSDD-UHFFFAOYSA-N
MW221.31 g/mol
LogP2.66
Rot. Bonds2

About (2-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone

(2-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone (PubChem CID 21394123) has the molecular formula C10H7NOS2 and a molecular weight of 221.31 g/mol. Its IUPAC name is (2-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(2-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone
PubChem CID21394123
Molecular FormulaC10H7NOS2
Molecular Weight221.31 g/mol
Exact Mass221.00
IUPAC Name(2-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)c1ccccc1S
InChIInChI=1S/C10H7NOS2/c12-9(10-11-5-6-14-10)7-3-1-2-4-8(7)13/h1-6,13H
InChIKeySXGQJTXOYTXSDD-UHFFFAOYSA-N
XLogP2.66
TPSA29.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone?
The IUPAC name of (2-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone (CID 21394123) is (2-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (2-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for (2-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone is O=C(c1nccs1)c1ccccc1S.
What is the InChIKey of (2-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone?
The InChIKey is SXGQJTXOYTXSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS2/c12-9(10-11-5-6-14-10)7-3-1-2-4-8(7)13/h1-6,13H.
What are the key properties of (2-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone?
(2-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone has a molecular weight of 221.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 21394123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).