butyl (2R)-2-methyl-1,3-oxazolidine-3-carbodithioate

C9H17NOS2 — CID 7782568

IUPACbutyl (2R)-2-methyl-1,3-oxazolidine-3-carbodithioate
SMILESCCCCSC(=S)N1CCO[C@@H]1C
InChIInChI=1S/C9H17NOS2/c1-3-4-7-13-9(12)10-5-6-11-8(10)2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyBYEOIPZDNDAEJV-MRVPVSSYSA-N
MW219.37 g/mol
LogP2.48
Rot. Bonds3

About butyl (2R)-2-methyl-1,3-oxazolidine-3-carbodithioate

butyl (2R)-2-methyl-1,3-oxazolidine-3-carbodithioate (PubChem CID 7782568) has the molecular formula C9H17NOS2 and a molecular weight of 219.37 g/mol. Its IUPAC name is butyl (2R)-2-methyl-1,3-oxazolidine-3-carbodithioate.

Molecular Properties

Compound Namebutyl (2R)-2-methyl-1,3-oxazolidine-3-carbodithioate
PubChem CID7782568
Molecular FormulaC9H17NOS2
Molecular Weight219.37 g/mol
Exact Mass219.08
IUPAC Namebutyl (2R)-2-methyl-1,3-oxazolidine-3-carbodithioate
SMILESCCCCSC(=S)N1CCO[C@@H]1C
InChIInChI=1S/C9H17NOS2/c1-3-4-7-13-9(12)10-5-6-11-8(10)2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyBYEOIPZDNDAEJV-MRVPVSSYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl (2R)-2-methyl-1,3-oxazolidine-3-carbodithioate?
The IUPAC name of butyl (2R)-2-methyl-1,3-oxazolidine-3-carbodithioate (CID 7782568) is butyl (2R)-2-methyl-1,3-oxazolidine-3-carbodithioate.
What is the SMILES notation for butyl (2R)-2-methyl-1,3-oxazolidine-3-carbodithioate?
The canonical SMILES for butyl (2R)-2-methyl-1,3-oxazolidine-3-carbodithioate is CCCCSC(=S)N1CCO[C@@H]1C.
What is the InChIKey of butyl (2R)-2-methyl-1,3-oxazolidine-3-carbodithioate?
The InChIKey is BYEOIPZDNDAEJV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NOS2/c1-3-4-7-13-9(12)10-5-6-11-8(10)2/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of butyl (2R)-2-methyl-1,3-oxazolidine-3-carbodithioate?
butyl (2R)-2-methyl-1,3-oxazolidine-3-carbodithioate has a molecular weight of 219.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2R)-2-methyl-1,3-oxazolidine-3-carbodithioate is sourced from PubChem (CID 7782568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).