ethane;4-phenyl-1,3-oxazolidine-2-thione

C11H15NOS — CID 54377215

IUPACethane;4-phenyl-1,3-oxazolidine-2-thione
SMILESCC.S=C1NC(c2ccccc2)CO1
InChIInChI=1S/C9H9NOS.C2H6/c12-9-10-8(6-11-9)7-4-2-1-3-5-7;1-2/h1-5,8H,6H2,(H,10,12);1-2H3
InChIKeyUXJLIEAAJQTCET-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.66
Rot. Bonds1

About ethane;4-phenyl-1,3-oxazolidine-2-thione

ethane;4-phenyl-1,3-oxazolidine-2-thione (PubChem CID 54377215) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is ethane;4-phenyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Nameethane;4-phenyl-1,3-oxazolidine-2-thione
PubChem CID54377215
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Nameethane;4-phenyl-1,3-oxazolidine-2-thione
SMILESCC.S=C1NC(c2ccccc2)CO1
InChIInChI=1S/C9H9NOS.C2H6/c12-9-10-8(6-11-9)7-4-2-1-3-5-7;1-2/h1-5,8H,6H2,(H,10,12);1-2H3
InChIKeyUXJLIEAAJQTCET-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
ethane;(2S)-2-phenylaziridine
CID 145185749
(3R,5R)-3-methyl-5-phenylmorpholin-2-one
CID 15042724
(4S)-4-phenyl-1,3-oxazolidine
CID 54050063
(3R,8Z,11R)-8,11-dimethyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
CID 118867127
(5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
CID 11103469
(3R,9E,12R)-12-methyl-3-phenyl-1-oxa-4-azacyclotridec-9-ene-5,13-dione
CID 86714846
methyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate
CID 10922856
ethane;2-phenyloxirane
CID 54171856
(4R)-4-(4-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 171184568
(1S,3R,12S)-3-methyl-7-phenyl-5,15-dioxa-8,13-diazabicyclo[10.3.0]pentadecane-4,9,14-trione
CID 118880000

Frequently Asked Questions

What is the IUPAC name of ethane;4-phenyl-1,3-oxazolidine-2-thione?
The IUPAC name of ethane;4-phenyl-1,3-oxazolidine-2-thione (CID 54377215) is ethane;4-phenyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for ethane;4-phenyl-1,3-oxazolidine-2-thione?
The canonical SMILES for ethane;4-phenyl-1,3-oxazolidine-2-thione is CC.S=C1NC(c2ccccc2)CO1.
What is the InChIKey of ethane;4-phenyl-1,3-oxazolidine-2-thione?
The InChIKey is UXJLIEAAJQTCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS.C2H6/c12-9-10-8(6-11-9)7-4-2-1-3-5-7;1-2/h1-5,8H,6H2,(H,10,12);1-2H3.
What are the key properties of ethane;4-phenyl-1,3-oxazolidine-2-thione?
ethane;4-phenyl-1,3-oxazolidine-2-thione has a molecular weight of 209.31 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-phenyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 54377215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).