2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol

C6H8ClNOS2 — CID 79765524

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol
SMILESOCCSCc1cnc(Cl)s1
InChIInChI=1S/C6H8ClNOS2/c7-6-8-3-5(11-6)4-10-2-1-9/h3,9H,1-2,4H2
InChIKeyRSTLKUAVUIYACP-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.02
Rot. Bonds4

About 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol

2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol (PubChem CID 79765524) has the molecular formula C6H8ClNOS2 and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol
PubChem CID79765524
Molecular FormulaC6H8ClNOS2
Molecular Weight209.72 g/mol
Exact Mass208.97
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol
SMILESOCCSCc1cnc(Cl)s1
InChIInChI=1S/C6H8ClNOS2/c7-6-8-3-5(11-6)4-10-2-1-9/h3,9H,1-2,4H2
InChIKeyRSTLKUAVUIYACP-UHFFFAOYSA-N
XLogP2.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol (CID 79765524) is 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol is OCCSCc1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol?
The InChIKey is RSTLKUAVUIYACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNOS2/c7-6-8-3-5(11-6)4-10-2-1-9/h3,9H,1-2,4H2.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol?
2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol has a molecular weight of 209.72 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol is sourced from PubChem (CID 79765524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).