ethane;4-ethyl-4-phenyl-1,3-thiazolidine-2,5-dithione

C15H23NS3 — CID 91385008

IUPACethane;4-ethyl-4-phenyl-1,3-thiazolidine-2,5-dithione
SMILESCC.CC.CCC1(c2ccccc2)NC(=S)SC1=S
InChIInChI=1S/C11H11NS3.2C2H6/c1-2-11(8-6-4-3-5-7-8)9(13)15-10(14)12-11;2*1-2/h3-7H,2H2,1H3,(H,12,14);2*1-2H3
InChIKeyBUPYLEQPBQWSOT-UHFFFAOYSA-N
MW313.56 g/mol
LogP5.29
Rot. Bonds2

About ethane;4-ethyl-4-phenyl-1,3-thiazolidine-2,5-dithione

ethane;4-ethyl-4-phenyl-1,3-thiazolidine-2,5-dithione (PubChem CID 91385008) has the molecular formula C15H23NS3 and a molecular weight of 313.56 g/mol. Its IUPAC name is ethane;4-ethyl-4-phenyl-1,3-thiazolidine-2,5-dithione.

Molecular Properties

Compound Nameethane;4-ethyl-4-phenyl-1,3-thiazolidine-2,5-dithione
PubChem CID91385008
Molecular FormulaC15H23NS3
Molecular Weight313.56 g/mol
Exact Mass313.10
IUPAC Nameethane;4-ethyl-4-phenyl-1,3-thiazolidine-2,5-dithione
SMILESCC.CC.CCC1(c2ccccc2)NC(=S)SC1=S
InChIInChI=1S/C11H11NS3.2C2H6/c1-2-11(8-6-4-3-5-7-8)9(13)15-10(14)12-11;2*1-2/h3-7H,2H2,1H3,(H,12,14);2*1-2H3
InChIKeyBUPYLEQPBQWSOT-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.56
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 162266828
CID 162266828
5-ethyl-5-phenyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529154
(3S)-3-ethyl-3-phenylpiperazin-2-one
CID 94410316
5-ethyl-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033297
(NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine
CID 121009128
3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile
CID 7595269
5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 82997213
5-ethyl-5-phenyl-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione
CID 71954685
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7179501
methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate
CID 16549652
5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one
CID 82996942
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8849641

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-4-phenyl-1,3-thiazolidine-2,5-dithione?
The IUPAC name of ethane;4-ethyl-4-phenyl-1,3-thiazolidine-2,5-dithione (CID 91385008) is ethane;4-ethyl-4-phenyl-1,3-thiazolidine-2,5-dithione.
What is the SMILES notation for ethane;4-ethyl-4-phenyl-1,3-thiazolidine-2,5-dithione?
The canonical SMILES for ethane;4-ethyl-4-phenyl-1,3-thiazolidine-2,5-dithione is CC.CC.CCC1(c2ccccc2)NC(=S)SC1=S.
What is the InChIKey of ethane;4-ethyl-4-phenyl-1,3-thiazolidine-2,5-dithione?
The InChIKey is BUPYLEQPBQWSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS3.2C2H6/c1-2-11(8-6-4-3-5-7-8)9(13)15-10(14)12-11;2*1-2/h3-7H,2H2,1H3,(H,12,14);2*1-2H3.
What are the key properties of ethane;4-ethyl-4-phenyl-1,3-thiazolidine-2,5-dithione?
ethane;4-ethyl-4-phenyl-1,3-thiazolidine-2,5-dithione has a molecular weight of 313.56 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-4-phenyl-1,3-thiazolidine-2,5-dithione is sourced from PubChem (CID 91385008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).