propan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate

C9H17NOS2 — CID 42600798

IUPACpropan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate
SMILESCC(C)SC(=S)N1CCOC1(C)C
InChIInChI=1S/C9H17NOS2/c1-7(2)13-8(12)10-5-6-11-9(10,3)4/h7H,5-6H2,1-4H3
InChIKeyNKHKCYHPKHPSCW-UHFFFAOYSA-N
MW219.37 g/mol
LogP2.48
Rot. Bonds1

About propan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate

propan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate (PubChem CID 42600798) has the molecular formula C9H17NOS2 and a molecular weight of 219.37 g/mol. Its IUPAC name is propan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate.

Molecular Properties

Compound Namepropan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate
PubChem CID42600798
Molecular FormulaC9H17NOS2
Molecular Weight219.37 g/mol
Exact Mass219.08
IUPAC Namepropan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate
SMILESCC(C)SC(=S)N1CCOC1(C)C
InChIInChI=1S/C9H17NOS2/c1-7(2)13-8(12)10-5-6-11-9(10,3)4/h7H,5-6H2,1-4H3
InChIKeyNKHKCYHPKHPSCW-UHFFFAOYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 11492198
bis(2,2-dimethyl-1,3-oxazolidine-3-carbodithioate);bis(triethylazanium)
CID 86736050
(E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione
CID 11150237
2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 147851461
2,2-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine
CID 174923800
benzyl 2-tert-butyl-2-methyl-1,3-oxazolidine-3-carbodithioate
CID 15166725
3-[(2,2-dimethyl-1,3-oxazolidin-3-yl)oxy]-2,2-dimethyl-1,3-oxazolidine
CID 140978929
(2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one
CID 23645383
N-methyl-N,2-di(propan-2-yl)-5-oxa-2,8-diazaspiro[3.4]octane-8-carboxamide
CID 159766538
2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone
CID 12906840
(2S)-2-(morpholine-4-carbothioylsulfanyl)propanoate
CID 6937490
N,2,2-trimethylmorpholine-4-carbothioamide
CID 115580682

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate?
The IUPAC name of propan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate (CID 42600798) is propan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate.
What is the SMILES notation for propan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate?
The canonical SMILES for propan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate is CC(C)SC(=S)N1CCOC1(C)C.
What is the InChIKey of propan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate?
The InChIKey is NKHKCYHPKHPSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS2/c1-7(2)13-8(12)10-5-6-11-9(10,3)4/h7H,5-6H2,1-4H3.
What are the key properties of propan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate?
propan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate has a molecular weight of 219.37 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate is sourced from PubChem (CID 42600798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).