4-hydroxy-3-propan-2-yl-1,3-thiazole-2-thione

C6H9NOS2 — CID 91227797

IUPAC4-hydroxy-3-propan-2-yl-1,3-thiazole-2-thione
SMILESCC(C)n1c(O)csc1=S
InChIInChI=1S/C6H9NOS2/c1-4(2)7-5(8)3-10-6(7)9/h3-4,8H,1-2H3
InChIKeyBMUIBGCXIPQSKQ-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.57
Rot. Bonds1

About 4-hydroxy-3-propan-2-yl-1,3-thiazole-2-thione

4-hydroxy-3-propan-2-yl-1,3-thiazole-2-thione (PubChem CID 91227797) has the molecular formula C6H9NOS2 and a molecular weight of 175.28 g/mol. Its IUPAC name is 4-hydroxy-3-propan-2-yl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-propan-2-yl-1,3-thiazole-2-thione
PubChem CID91227797
Molecular FormulaC6H9NOS2
Molecular Weight175.28 g/mol
Exact Mass175.01
IUPAC Name4-hydroxy-3-propan-2-yl-1,3-thiazole-2-thione
SMILESCC(C)n1c(O)csc1=S
InChIInChI=1S/C6H9NOS2/c1-4(2)7-5(8)3-10-6(7)9/h3-4,8H,1-2H3
InChIKeyBMUIBGCXIPQSKQ-UHFFFAOYSA-N
XLogP2.57
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-3-methyl-1,3-thiazole-2-thione
CID 53925009
3-Butyl-4-hydroxy-1,3-thiazole-2-thione
CID 54000641
3-Ethyl-4-hydroxy-1,3-thiazole-2-thione
CID 54009528
4-Hydroxy-3-propyl-1,3-thiazole-2-thione
CID 53869427
3-[3-(Dimethylamino)propyl]-4-hydroxy-1,3-thiazole-2-thione
CID 54106695
(3-Methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium
CID 143254972

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-propan-2-yl-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-3-propan-2-yl-1,3-thiazole-2-thione (CID 91227797) is 4-hydroxy-3-propan-2-yl-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-3-propan-2-yl-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-3-propan-2-yl-1,3-thiazole-2-thione is CC(C)n1c(O)csc1=S.
What is the InChIKey of 4-hydroxy-3-propan-2-yl-1,3-thiazole-2-thione?
The InChIKey is BMUIBGCXIPQSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS2/c1-4(2)7-5(8)3-10-6(7)9/h3-4,8H,1-2H3.
What are the key properties of 4-hydroxy-3-propan-2-yl-1,3-thiazole-2-thione?
4-hydroxy-3-propan-2-yl-1,3-thiazole-2-thione has a molecular weight of 175.28 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-propan-2-yl-1,3-thiazole-2-thione is sourced from PubChem (CID 91227797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).