(1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol

C8H14O3S — CID 103971203

IUPAC(1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol
SMILESCC(O)/C=C1/CCCS(=O)(=O)C1
InChIInChI=1S/C8H14O3S/c1-7(9)5-8-3-2-4-12(10,11)6-8/h5,7,9H,2-4,6H2,1H3/b8-5-
InChIKeyXZYKJZIGVOILQN-YVMONPNESA-N
MW190.26 g/mol
LogP0.50
Rot. Bonds1

About (1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol

(1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol (PubChem CID 103971203) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is (1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol.

Molecular Properties

Compound Name(1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol
PubChem CID103971203
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name(1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol
SMILESCC(O)/C=C1/CCCS(=O)(=O)C1
InChIInChI=1S/C8H14O3S/c1-7(9)5-8-3-2-4-12(10,11)6-8/h5,7,9H,2-4,6H2,1H3/b8-5-
InChIKeyXZYKJZIGVOILQN-YVMONPNESA-N
XLogP0.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxy-5-pentyl-2,3-dihydrothiophene-1,1-dioxide
CID 16756467
5-Ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol
CID 134843026
(2E)-3,7-dimethyl-1-(3-methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)octa-2,6-dien-1-ol
CID 11119634
(E)-2-methyl-4-(3-methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)but-2-en-1-ol
CID 14565894
3-Methyl-1-(3-methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)but-2-en-1-ol
CID 15188592
(E)-5-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-2-methylpent-2-en-1-ol
CID 21727422
(Z)-2-methyl-4-(3-methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)but-2-en-1-ol
CID 21727430
(2E,6E,10E,14E)-1-ethylsulfonyl-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 19369968
(2E,6E,10E,14E)-3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol
CID 19369972
(2E,6E,10E,14E)-3,7,11,15,19-pentamethyl-1-propylsulfonylicosa-2,6,10,14,18-pentaen-1-ol
CID 19369973
(2E,6E,10E,14E)-1-butylsulfonyl-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 19369978
1-(1,1-Dioxo-2,5-dihydrothiophen-3-yl)ethanol
CID 45086226

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol?
The IUPAC name of (1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol (CID 103971203) is (1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol.
What is the SMILES notation for (1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol?
The canonical SMILES for (1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol is CC(O)/C=C1/CCCS(=O)(=O)C1.
What is the InChIKey of (1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol?
The InChIKey is XZYKJZIGVOILQN-YVMONPNESA-N. The full InChI is InChI=1S/C8H14O3S/c1-7(9)5-8-3-2-4-12(10,11)6-8/h5,7,9H,2-4,6H2,1H3/b8-5-.
What are the key properties of (1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol?
(1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol has a molecular weight of 190.26 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol is sourced from PubChem (CID 103971203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).