2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,2-thiazolidine 1-oxide

C9H20NO3PS2 — CID 70128109

IUPAC2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,2-thiazolidine 1-oxide
SMILESCCOP(=O)(SC(C)CC)N1CCCS1=O
InChIInChI=1S/C9H20NO3PS2/c1-4-9(3)15-14(11,13-5-2)10-7-6-8-16(10)12/h9H,4-8H2,1-3H3
InChIKeyNAOVPBFPZXQBRU-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.03
Rot. Bonds6

About 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,2-thiazolidine 1-oxide

2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,2-thiazolidine 1-oxide (PubChem CID 70128109) has the molecular formula C9H20NO3PS2 and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,2-thiazolidine 1-oxide.

Molecular Properties

Compound Name2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,2-thiazolidine 1-oxide
PubChem CID70128109
Molecular FormulaC9H20NO3PS2
Molecular Weight285.37 g/mol
Exact Mass285.06
IUPAC Name2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,2-thiazolidine 1-oxide
SMILESCCOP(=O)(SC(C)CC)N1CCCS1=O
InChIInChI=1S/C9H20NO3PS2/c1-4-9(3)15-14(11,13-5-2)10-7-6-8-16(10)12/h9H,4-8H2,1-3H3
InChIKeyNAOVPBFPZXQBRU-UHFFFAOYSA-N
XLogP3.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,3-thiazolidin-4-one
CID 14405102
1-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-4-hydroxy-3,5-dimethylimidazol-2-one
CID 56611057
(2S)-2-[3-chloropropylsulfanyl(ethoxy)phosphoryl]sulfanylbutane
CID 22811655
butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
CID 12918771
potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 23699412
2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol
CID 130503051
2-[ethoxy(pentan-2-ylsulfanyl)phosphoryl]sulfanylpentane
CID 66524256
1-diethoxyphosphorylpyrrolidine
CID 10750826
2-[propylsulfanyl(2,2,2-trifluoroethoxy)phosphoryl]sulfanylbutane
CID 13343966
2-diethoxyphosphorylbutane
CID 2733649
4-[4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxybenzoyl]benzamide
CID 21454421
2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide
CID 10755263

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,2-thiazolidine 1-oxide?
The IUPAC name of 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,2-thiazolidine 1-oxide (CID 70128109) is 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,2-thiazolidine 1-oxide.
What is the SMILES notation for 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,2-thiazolidine 1-oxide?
The canonical SMILES for 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,2-thiazolidine 1-oxide is CCOP(=O)(SC(C)CC)N1CCCS1=O.
What is the InChIKey of 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,2-thiazolidine 1-oxide?
The InChIKey is NAOVPBFPZXQBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO3PS2/c1-4-9(3)15-14(11,13-5-2)10-7-6-8-16(10)12/h9H,4-8H2,1-3H3.
What are the key properties of 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,2-thiazolidine 1-oxide?
2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,2-thiazolidine 1-oxide has a molecular weight of 285.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,2-thiazolidine 1-oxide is sourced from PubChem (CID 70128109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).