(1-butylazetidin-3-ylidene)methylsulfanium

C8H16NS+ — CID 142624926

IUPAC(1-butylazetidin-3-ylidene)methylsulfanium
SMILESCCCCN1CC(=C[SH2+])C1
InChIInChI=1S/C8H15NS/c1-2-3-4-9-5-8(6-9)7-10/h7,10H,2-6H2,1H3/p+1
InChIKeyZTJYLUBKSPXECT-UHFFFAOYSA-O
MW158.29 g/mol
LogP1.00
Rot. Bonds3

About (1-butylazetidin-3-ylidene)methylsulfanium

(1-butylazetidin-3-ylidene)methylsulfanium (PubChem CID 142624926) has the molecular formula C8H16NS+ and a molecular weight of 158.29 g/mol. Its IUPAC name is (1-butylazetidin-3-ylidene)methylsulfanium.

Molecular Properties

Compound Name(1-butylazetidin-3-ylidene)methylsulfanium
PubChem CID142624926
Molecular FormulaC8H16NS+
Molecular Weight158.29 g/mol
Exact Mass158.10
IUPAC Name(1-butylazetidin-3-ylidene)methylsulfanium
SMILESCCCCN1CC(=C[SH2+])C1
InChIInChI=1S/C8H15NS/c1-2-3-4-9-5-8(6-9)7-10/h7,10H,2-6H2,1H3/p+1
InChIKeyZTJYLUBKSPXECT-UHFFFAOYSA-O
XLogP1.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.00
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

(1-Butylazetidin-3-ylidene)methanethiol
CID 139336469
2-[[3-(Dimethylamino)propyl-methylamino]methyl]prop-2-ene-1-thiol
CID 103073187
2-[[Cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073197
2-(Diethylaminomethyl)prop-2-ene-1-thiol
CID 103073208
2-[(Dipropylamino)methyl]prop-2-ene-1-thiol
CID 103073217
2-[[Methyl(propan-2-yl)amino]methyl]prop-2-ene-1-thiol
CID 103073220
2-[[Butyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073241
2-[[Butyl(ethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073249
2-[(Dibutylamino)methyl]prop-2-ene-1-thiol
CID 103073262
2-[[Butan-2-yl(ethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073265
2-[[Ethyl(2-methylpropyl)amino]methyl]prop-2-ene-1-thiol
CID 103073266
2-[[Propan-2-yl(propyl)amino]methyl]prop-2-ene-1-thiol
CID 103073268

Frequently Asked Questions

What is the IUPAC name of (1-butylazetidin-3-ylidene)methylsulfanium?
The IUPAC name of (1-butylazetidin-3-ylidene)methylsulfanium (CID 142624926) is (1-butylazetidin-3-ylidene)methylsulfanium.
What is the SMILES notation for (1-butylazetidin-3-ylidene)methylsulfanium?
The canonical SMILES for (1-butylazetidin-3-ylidene)methylsulfanium is CCCCN1CC(=C[SH2+])C1.
What is the InChIKey of (1-butylazetidin-3-ylidene)methylsulfanium?
The InChIKey is ZTJYLUBKSPXECT-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NS/c1-2-3-4-9-5-8(6-9)7-10/h7,10H,2-6H2,1H3/p+1.
What are the key properties of (1-butylazetidin-3-ylidene)methylsulfanium?
(1-butylazetidin-3-ylidene)methylsulfanium has a molecular weight of 158.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylazetidin-3-ylidene)methylsulfanium is sourced from PubChem (CID 142624926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).