(1S)-1-(5-chloro-1,3-thiazol-2-yl)ethanethiol

C5H6ClNS2 — CID 163652515

IUPAC(1S)-1-(5-chloro-1,3-thiazol-2-yl)ethanethiol
SMILESC[C@H](S)c1ncc(Cl)s1
InChIInChI=1S/C5H6ClNS2/c1-3(8)5-7-2-4(6)9-5/h2-3,8H,1H3/t3-/m0/s1
InChIKeyINKUWPMUXZBWDA-VKHMYHEASA-N
MW179.70 g/mol
LogP2.79
Rot. Bonds1

About (1S)-1-(5-chloro-1,3-thiazol-2-yl)ethanethiol

(1S)-1-(5-chloro-1,3-thiazol-2-yl)ethanethiol (PubChem CID 163652515) has the molecular formula C5H6ClNS2 and a molecular weight of 179.70 g/mol. Its IUPAC name is (1S)-1-(5-chloro-1,3-thiazol-2-yl)ethanethiol.

Molecular Properties

Compound Name(1S)-1-(5-chloro-1,3-thiazol-2-yl)ethanethiol
PubChem CID163652515
Molecular FormulaC5H6ClNS2
Molecular Weight179.70 g/mol
Exact Mass178.96
IUPAC Name(1S)-1-(5-chloro-1,3-thiazol-2-yl)ethanethiol
SMILESC[C@H](S)c1ncc(Cl)s1
InChIInChI=1S/C5H6ClNS2/c1-3(8)5-7-2-4(6)9-5/h2-3,8H,1H3/t3-/m0/s1
InChIKeyINKUWPMUXZBWDA-VKHMYHEASA-N
XLogP2.79
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.70
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1S)-1-(5-chloro-1,3-thiazol-2-yl)ethanethiol?
The IUPAC name of (1S)-1-(5-chloro-1,3-thiazol-2-yl)ethanethiol (CID 163652515) is (1S)-1-(5-chloro-1,3-thiazol-2-yl)ethanethiol.
What is the SMILES notation for (1S)-1-(5-chloro-1,3-thiazol-2-yl)ethanethiol?
The canonical SMILES for (1S)-1-(5-chloro-1,3-thiazol-2-yl)ethanethiol is C[C@H](S)c1ncc(Cl)s1.
What is the InChIKey of (1S)-1-(5-chloro-1,3-thiazol-2-yl)ethanethiol?
The InChIKey is INKUWPMUXZBWDA-VKHMYHEASA-N. The full InChI is InChI=1S/C5H6ClNS2/c1-3(8)5-7-2-4(6)9-5/h2-3,8H,1H3/t3-/m0/s1.
What are the key properties of (1S)-1-(5-chloro-1,3-thiazol-2-yl)ethanethiol?
(1S)-1-(5-chloro-1,3-thiazol-2-yl)ethanethiol has a molecular weight of 179.70 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chloro-1,3-thiazol-2-yl)ethanethiol is sourced from PubChem (CID 163652515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).