butyl-methyl-(oxolan-2-ylmethyl)sulfanium

C10H21OS+ — CID 3062271

IUPACbutyl-methyl-(oxolan-2-ylmethyl)sulfanium
SMILESCCCC[S+](C)CC1CCCO1
InChIInChI=1S/C10H21OS/c1-3-4-8-12(2)9-10-6-5-7-11-10/h10H,3-9H2,1-2H3/q+1
InChIKeyZSLQQCSZVGJEFJ-UHFFFAOYSA-N
MW189.34 g/mol
LogP2.21
Rot. Bonds5

About butyl-methyl-(oxolan-2-ylmethyl)sulfanium

butyl-methyl-(oxolan-2-ylmethyl)sulfanium (PubChem CID 3062271) has the molecular formula C10H21OS+ and a molecular weight of 189.34 g/mol. Its IUPAC name is butyl-methyl-(oxolan-2-ylmethyl)sulfanium.

Molecular Properties

Compound Namebutyl-methyl-(oxolan-2-ylmethyl)sulfanium
PubChem CID3062271
Molecular FormulaC10H21OS+
Molecular Weight189.34 g/mol
Exact Mass189.13
IUPAC Namebutyl-methyl-(oxolan-2-ylmethyl)sulfanium
SMILESCCCC[S+](C)CC1CCCO1
InChIInChI=1S/C10H21OS/c1-3-4-8-12(2)9-10-6-5-7-11-10/h10H,3-9H2,1-2H3/q+1
InChIKeyZSLQQCSZVGJEFJ-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
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

2-Methyl-3-thioacetoxytetrahydrofuran
CID 129968705
1,3-Oxathiane, 2,2,4,6-tetramethyl-, cis-
CID 141906
2-Ethyl-3-(methylsulfanyl)oxolane
CID 15720837
1,3-Oxathiolane, 2-pentyl-
CID 11147880
2-[(Methylsulfanyl)methyl]tetrahydrofuran
CID 11789247
5-Propyl-1,3-oxathiolane
CID 21540543
Tetrahydrofurfurylsulfide
CID 129750352
anti-2-cis-4,5-Trimethyl-1,3-oxathiolane
CID 144004
(2R,3S,4S)-3-butoxy-2-(butoxymethyl)-4-fluorothiolane
CID 118147394
(2R,3S,4S)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methylthiolane
CID 118516563
S-(2,5-dimethyloxolan-3-yl) ethanethioate
CID 124155846
2,2,4,5-Tetramethyl-1,3-oxathiolane
CID 21719870

Frequently Asked Questions

What is the IUPAC name of butyl-methyl-(oxolan-2-ylmethyl)sulfanium?
The IUPAC name of butyl-methyl-(oxolan-2-ylmethyl)sulfanium (CID 3062271) is butyl-methyl-(oxolan-2-ylmethyl)sulfanium.
What is the SMILES notation for butyl-methyl-(oxolan-2-ylmethyl)sulfanium?
The canonical SMILES for butyl-methyl-(oxolan-2-ylmethyl)sulfanium is CCCC[S+](C)CC1CCCO1.
What is the InChIKey of butyl-methyl-(oxolan-2-ylmethyl)sulfanium?
The InChIKey is ZSLQQCSZVGJEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21OS/c1-3-4-8-12(2)9-10-6-5-7-11-10/h10H,3-9H2,1-2H3/q+1.
What are the key properties of butyl-methyl-(oxolan-2-ylmethyl)sulfanium?
butyl-methyl-(oxolan-2-ylmethyl)sulfanium has a molecular weight of 189.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-methyl-(oxolan-2-ylmethyl)sulfanium is sourced from PubChem (CID 3062271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).