2-benzyl-1,2-oxazolidine-3-thione

C10H11NOS — CID 88823942

IUPAC2-benzyl-1,2-oxazolidine-3-thione
SMILESS=C1CCON1Cc1ccccc1
InChIInChI=1S/C10H11NOS/c13-10-6-7-12-11(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyBZCSFKIFNVCZNS-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.15
Rot. Bonds2

About 2-benzyl-1,2-oxazolidine-3-thione

2-benzyl-1,2-oxazolidine-3-thione (PubChem CID 88823942) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-benzyl-1,2-oxazolidine-3-thione.

Molecular Properties

Compound Name2-benzyl-1,2-oxazolidine-3-thione
PubChem CID88823942
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-benzyl-1,2-oxazolidine-3-thione
SMILESS=C1CCON1Cc1ccccc1
InChIInChI=1S/C10H11NOS/c13-10-6-7-12-11(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyBZCSFKIFNVCZNS-UHFFFAOYSA-N
XLogP2.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-1,2-oxazole-3-thione
CID 12588224
2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one
CID 145296557
2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane
CID 21285761
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 88764245
1-benzyl-1,3-diazetidine
CID 67702530
3-benzyl-1H-2,3-benzoxazin-4-one
CID 134095286
(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine
CID 10853443
(4S,5S)-1,3-dibenzyl-4,5-diphenylimidazolidine-2-thione
CID 24767043
(3R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylideneoxazinane
CID 135011069
1,2-dibenzylpyrazolidin-4-ol
CID 12543345
1,2-dibenzylpyrazolidin-4-amine
CID 20519767

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,2-oxazolidine-3-thione?
The IUPAC name of 2-benzyl-1,2-oxazolidine-3-thione (CID 88823942) is 2-benzyl-1,2-oxazolidine-3-thione.
What is the SMILES notation for 2-benzyl-1,2-oxazolidine-3-thione?
The canonical SMILES for 2-benzyl-1,2-oxazolidine-3-thione is S=C1CCON1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1,2-oxazolidine-3-thione?
The InChIKey is BZCSFKIFNVCZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c13-10-6-7-12-11(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 2-benzyl-1,2-oxazolidine-3-thione?
2-benzyl-1,2-oxazolidine-3-thione has a molecular weight of 193.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,2-oxazolidine-3-thione is sourced from PubChem (CID 88823942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).