4-[[(S)-benzylsulfinyl]methyl]-1,3-thiazole

C11H11NOS2 — CID 170567095

IUPAC4-[[(S)-benzylsulfinyl]methyl]-1,3-thiazole
SMILESO=[S@@](Cc1ccccc1)Cc1cscn1
InChIInChI=1S/C11H11NOS2/c13-15(8-11-6-14-9-12-11)7-10-4-2-1-3-5-10/h1-6,9H,7-8H2/t15-/m0/s1
InChIKeyPXSNQZZWEMQHLD-HNNXBMFYSA-N
MW237.35 g/mol
LogP2.59
Rot. Bonds4

About 4-[[(S)-benzylsulfinyl]methyl]-1,3-thiazole

4-[[(S)-benzylsulfinyl]methyl]-1,3-thiazole (PubChem CID 170567095) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[[(S)-benzylsulfinyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[(S)-benzylsulfinyl]methyl]-1,3-thiazole
PubChem CID170567095
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name4-[[(S)-benzylsulfinyl]methyl]-1,3-thiazole
SMILESO=[S@@](Cc1ccccc1)Cc1cscn1
InChIInChI=1S/C11H11NOS2/c13-15(8-11-6-14-9-12-11)7-10-4-2-1-3-5-10/h1-6,9H,7-8H2/t15-/m0/s1
InChIKeyPXSNQZZWEMQHLD-HNNXBMFYSA-N
XLogP2.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(S)-benzylsulfinyl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[(S)-benzylsulfinyl]methyl]-1,3-thiazole (CID 170567095) is 4-[[(S)-benzylsulfinyl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[(S)-benzylsulfinyl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[(S)-benzylsulfinyl]methyl]-1,3-thiazole is O=[S@@](Cc1ccccc1)Cc1cscn1.
What is the InChIKey of 4-[[(S)-benzylsulfinyl]methyl]-1,3-thiazole?
The InChIKey is PXSNQZZWEMQHLD-HNNXBMFYSA-N. The full InChI is InChI=1S/C11H11NOS2/c13-15(8-11-6-14-9-12-11)7-10-4-2-1-3-5-10/h1-6,9H,7-8H2/t15-/m0/s1.
What are the key properties of 4-[[(S)-benzylsulfinyl]methyl]-1,3-thiazole?
4-[[(S)-benzylsulfinyl]methyl]-1,3-thiazole has a molecular weight of 237.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(S)-benzylsulfinyl]methyl]-1,3-thiazole is sourced from PubChem (CID 170567095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).