(4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidine-2-thione

C7H13NOS2 — CID 146326479

IUPAC(4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidine-2-thione
SMILESCSN1C(=S)OC[C@H]1C(C)C
InChIInChI=1S/C7H13NOS2/c1-5(2)6-4-9-7(10)8(6)11-3/h5-6H,4H2,1-3H3/t6-/m0/s1
InChIKeyOHLDKPVHZVAWQF-LURJTMIESA-N
MW191.32 g/mol
LogP1.91
Rot. Bonds2

About (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidine-2-thione

(4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidine-2-thione (PubChem CID 146326479) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name(4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidine-2-thione
PubChem CID146326479
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC Name(4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidine-2-thione
SMILESCSN1C(=S)OC[C@H]1C(C)C
InChIInChI=1S/C7H13NOS2/c1-5(2)6-4-9-7(10)8(6)11-3/h5-6H,4H2,1-3H3/t6-/m0/s1
InChIKeyOHLDKPVHZVAWQF-LURJTMIESA-N
XLogP1.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidine-2-thione?
The IUPAC name of (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidine-2-thione (CID 146326479) is (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidine-2-thione.
What is the SMILES notation for (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidine-2-thione?
The canonical SMILES for (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidine-2-thione is CSN1C(=S)OC[C@H]1C(C)C.
What is the InChIKey of (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidine-2-thione?
The InChIKey is OHLDKPVHZVAWQF-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NOS2/c1-5(2)6-4-9-7(10)8(6)11-3/h5-6H,4H2,1-3H3/t6-/m0/s1.
What are the key properties of (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidine-2-thione?
(4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidine-2-thione has a molecular weight of 191.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 146326479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).