actinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol

C5H10AcOS — CID 59073912

IUPACactinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol
SMILES[3H]CSCC(=C)CO.[Ac]
InChIInChI=1S/C5H10OS.Ac/c1-5(3-6)4-7-2;/h6H,1,3-4H2,2H3;/i2T;
InChIKeyLGTGTOMEXCNEQY-NVHZEMIHSA-N
MW347.21 g/mol
LogP0.90
Rot. Bonds4

About actinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol

actinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol (PubChem CID 59073912) has the molecular formula C5H10AcOS and a molecular weight of 347.21 g/mol. Its IUPAC name is actinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol.

Molecular Properties

Compound Nameactinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol
PubChem CID59073912
Molecular FormulaC5H10AcOS
Molecular Weight347.21 g/mol
Exact Mass347.08
IUPAC Nameactinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol
SMILES[3H]CSCC(=C)CO.[Ac]
InChIInChI=1S/C5H10OS.Ac/c1-5(3-6)4-7-2;/h6H,1,3-4H2,2H3;/i2T;
InChIKeyLGTGTOMEXCNEQY-NVHZEMIHSA-N
XLogP0.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Buten-1-ol, 2-(methylthio)methyl-
CID 6435612
3-Methyl-4-(methylsulfanyl)but-2-en-1-ol
CID 155820369
(2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol
CID 10866481
2-Methylsulfanylprop-2-en-1-ol
CID 13331380
2-Propylsulfanylprop-2-en-1-ol
CID 13331382
(Z)-2,3-bis(methylsulfanyl)prop-2-en-1-ol
CID 12170649
2-Ethylsulfanylprop-2-en-1-ol
CID 13331381
2-Butan-2-ylsulfanylprop-2-en-1-ol
CID 13331385
(Z)-3-propylsulfanylprop-2-en-1-ol
CID 13331394
(Z)-3-butan-2-ylsulfanylprop-2-en-1-ol
CID 13331400
(Z)-3-butylsulfanylprop-2-en-1-ol
CID 15575902
(Z)-3-tert-butylsulfanylprop-2-en-1-ol
CID 15575904

Frequently Asked Questions

What is the IUPAC name of actinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol?
The IUPAC name of actinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol (CID 59073912) is actinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol.
What is the SMILES notation for actinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol?
The canonical SMILES for actinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol is [3H]CSCC(=C)CO.[Ac].
What is the InChIKey of actinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol?
The InChIKey is LGTGTOMEXCNEQY-NVHZEMIHSA-N. The full InChI is InChI=1S/C5H10OS.Ac/c1-5(3-6)4-7-2;/h6H,1,3-4H2,2H3;/i2T;.
What are the key properties of actinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol?
actinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol has a molecular weight of 347.21 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol is sourced from PubChem (CID 59073912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).