(4-hydroxy-2-methylbutan-2-yl)-dimethylsulfanium

C7H17OS+ — CID 13156730

IUPAC(4-hydroxy-2-methylbutan-2-yl)-dimethylsulfanium
SMILESC[S+](C)C(C)(C)CCO
InChIInChI=1S/C7H17OS/c1-7(2,5-6-8)9(3)4/h8H,5-6H2,1-4H3/q+1
InChIKeyRCGFANAVFFMHMF-UHFFFAOYSA-N
MW149.28 g/mol
LogP1.03
Rot. Bonds3

About (4-hydroxy-2-methylbutan-2-yl)-dimethylsulfanium

(4-hydroxy-2-methylbutan-2-yl)-dimethylsulfanium (PubChem CID 13156730) has the molecular formula C7H17OS+ and a molecular weight of 149.28 g/mol. Its IUPAC name is (4-hydroxy-2-methylbutan-2-yl)-dimethylsulfanium.

Molecular Properties

Compound Name(4-hydroxy-2-methylbutan-2-yl)-dimethylsulfanium
PubChem CID13156730
Molecular FormulaC7H17OS+
Molecular Weight149.28 g/mol
Exact Mass149.10
IUPAC Name(4-hydroxy-2-methylbutan-2-yl)-dimethylsulfanium
SMILESC[S+](C)C(C)(C)CCO
InChIInChI=1S/C7H17OS/c1-7(2,5-6-8)9(3)4/h8H,5-6H2,1-4H3/q+1
InChIKeyRCGFANAVFFMHMF-UHFFFAOYSA-N
XLogP1.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(Methylthio)butanol
CID 519793
3-(Methylthio)-1-butanol
CID 22934579
2-Methyl-2-(methylsulfanyl)propan-1-ol
CID 12628027
(1-(Methylsulfanyl)cyclopropyl)methanol
CID 53778949
3-Methyl-3-(methylsulfanyl)butan-1-ol
CID 14759792
3-(Tert-butylsulfanyl)propan-1-ol
CID 12300962
4-(Tert-butylsulfanyl)butan-1-ol
CID 253476
(4-Hydroxy-2-methylbutan-2-yl)-dimethylsulfanium tetrafluoroborate
CID 13156729
3,3-Dimethyl-2-methylsulfanylbutan-1-ol
CID 13720555
4-Propylsulfanylbutan-1-ol
CID 12518257
2-(2-Methylbutan-2-ylsulfanyl)ethanol
CID 13659449
3-Tert-butylsulfanylbutan-1-ol
CID 14940664

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methylbutan-2-yl)-dimethylsulfanium?
The IUPAC name of (4-hydroxy-2-methylbutan-2-yl)-dimethylsulfanium (CID 13156730) is (4-hydroxy-2-methylbutan-2-yl)-dimethylsulfanium.
What is the SMILES notation for (4-hydroxy-2-methylbutan-2-yl)-dimethylsulfanium?
The canonical SMILES for (4-hydroxy-2-methylbutan-2-yl)-dimethylsulfanium is C[S+](C)C(C)(C)CCO.
What is the InChIKey of (4-hydroxy-2-methylbutan-2-yl)-dimethylsulfanium?
The InChIKey is RCGFANAVFFMHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17OS/c1-7(2,5-6-8)9(3)4/h8H,5-6H2,1-4H3/q+1.
What are the key properties of (4-hydroxy-2-methylbutan-2-yl)-dimethylsulfanium?
(4-hydroxy-2-methylbutan-2-yl)-dimethylsulfanium has a molecular weight of 149.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methylbutan-2-yl)-dimethylsulfanium is sourced from PubChem (CID 13156730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).