2-[(S)-methylsulfinyl]-1,3-thiazole

C4H5NOS2 — CID 134969319

IUPAC2-[(S)-methylsulfinyl]-1,3-thiazole
SMILESC[S@](=O)c1nccs1
InChIInChI=1S/C4H5NOS2/c1-8(6)4-5-2-3-7-4/h2-3H,1H3/t8-/m0/s1
InChIKeyRQYMPCMLYRLKMZ-QMMMGPOBSA-N
MW147.22 g/mol
LogP0.88
Rot. Bonds1

About 2-[(S)-methylsulfinyl]-1,3-thiazole

2-[(S)-methylsulfinyl]-1,3-thiazole (PubChem CID 134969319) has the molecular formula C4H5NOS2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-[(S)-methylsulfinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(S)-methylsulfinyl]-1,3-thiazole
PubChem CID134969319
Molecular FormulaC4H5NOS2
Molecular Weight147.22 g/mol
Exact Mass146.98
IUPAC Name2-[(S)-methylsulfinyl]-1,3-thiazole
SMILESC[S@](=O)c1nccs1
InChIInChI=1S/C4H5NOS2/c1-8(6)4-5-2-3-7-4/h2-3H,1H3/t8-/m0/s1
InChIKeyRQYMPCMLYRLKMZ-QMMMGPOBSA-N
XLogP0.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-methylsulfinyl]-1,3-thiazole?
The IUPAC name of 2-[(S)-methylsulfinyl]-1,3-thiazole (CID 134969319) is 2-[(S)-methylsulfinyl]-1,3-thiazole.
What is the SMILES notation for 2-[(S)-methylsulfinyl]-1,3-thiazole?
The canonical SMILES for 2-[(S)-methylsulfinyl]-1,3-thiazole is C[S@](=O)c1nccs1.
What is the InChIKey of 2-[(S)-methylsulfinyl]-1,3-thiazole?
The InChIKey is RQYMPCMLYRLKMZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C4H5NOS2/c1-8(6)4-5-2-3-7-4/h2-3H,1H3/t8-/m0/s1.
What are the key properties of 2-[(S)-methylsulfinyl]-1,3-thiazole?
2-[(S)-methylsulfinyl]-1,3-thiazole has a molecular weight of 147.22 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-methylsulfinyl]-1,3-thiazole is sourced from PubChem (CID 134969319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).