1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride

C6H11ClN2S2 — CID 11031117

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride
SMILESSC1C[NH+](C2=NCCS2)C1.[Cl-]
InChIInChI=1S/C6H10N2S2.ClH/c9-5-3-8(4-5)6-7-1-2-10-6;/h5,9H,1-4H2;1H
InChIKeyWLQPQHGYHHHITD-UHFFFAOYSA-N
MW210.75 g/mol
LogP-3.71
Rot. Bonds

About 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride

1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride (PubChem CID 11031117) has the molecular formula C6H11ClN2S2 and a molecular weight of 210.75 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride
PubChem CID11031117
Molecular FormulaC6H11ClN2S2
Molecular Weight210.75 g/mol
Exact Mass210.01
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride
SMILESSC1C[NH+](C2=NCCS2)C1.[Cl-]
InChIInChI=1S/C6H10N2S2.ClH/c9-5-3-8(4-5)6-7-1-2-10-6;/h5,9H,1-4H2;1H
InChIKeyWLQPQHGYHHHITD-UHFFFAOYSA-N
XLogP-3.71
TPSA16.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.75
LogP ≤ 5-3.71
H-Bond Donors ≤ 52
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 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride (CID 11031117) is 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride is SC1C[NH+](C2=NCCS2)C1.[Cl-].
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride?
The InChIKey is WLQPQHGYHHHITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2.ClH/c9-5-3-8(4-5)6-7-1-2-10-6;/h5,9H,1-4H2;1H.
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride?
1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride has a molecular weight of 210.75 g/mol, XLogP of -3.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride is sourced from PubChem (CID 11031117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).