S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine

C6H16NO2PS2 — CID 12638082

IUPACS-di(propan-2-yloxy)phosphinothioylthiohydroxylamine
SMILESCC(C)OP(=S)(OC(C)C)SN
InChIInChI=1S/C6H16NO2PS2/c1-5(2)8-10(11,12-7)9-6(3)4/h5-6H,7H2,1-4H3
InChIKeyJFTPJHJCFFEWJQ-UHFFFAOYSA-N
MW229.31 g/mol
LogP2.67
Rot. Bonds5

About S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine

S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine (PubChem CID 12638082) has the molecular formula C6H16NO2PS2 and a molecular weight of 229.31 g/mol. Its IUPAC name is S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine.

Molecular Properties

Compound NameS-di(propan-2-yloxy)phosphinothioylthiohydroxylamine
PubChem CID12638082
Molecular FormulaC6H16NO2PS2
Molecular Weight229.31 g/mol
Exact Mass229.04
IUPAC NameS-di(propan-2-yloxy)phosphinothioylthiohydroxylamine
SMILESCC(C)OP(=S)(OC(C)C)SN
InChIInChI=1S/C6H16NO2PS2/c1-5(2)8-10(11,12-7)9-6(3)4/h5-6H,7H2,1-4H3
InChIKeyJFTPJHJCFFEWJQ-UHFFFAOYSA-N
XLogP2.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O,O-Bis(1-methylethyl) phosphorodithioate
CID 7876
Phosphorothioic acid, O,O-diethyl O-(1-methylethyl) ester
CID 3048039
Phosphorothioic acid, O,O-bis(1-methylethyl) ester, ammonium salt (1:1)
CID 169109
Disecbutyl dithiophosphate
CID 36561
Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester
CID 111353
S-diethoxyphosphinothioylthiohydroxylamine
CID 6372306
2-[Amino(propan-2-yloxy)phosphanyl]oxypropane
CID 22572533
O-ethyl isopropyl phosphoramidothioate
CID 129851114
Azanium di(butan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane
CID 20254045
Di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane
CID 1378709
O,O-Di(propan-2-yl) hydrogen phosphorothioate--ammonia (1/1)
CID 12657005
2-[Amino(propan-2-yloxy)phosphinothioyl]oxypropane
CID 13696853

Frequently Asked Questions

What is the IUPAC name of S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine?
The IUPAC name of S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine (CID 12638082) is S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine.
What is the SMILES notation for S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine?
The canonical SMILES for S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine is CC(C)OP(=S)(OC(C)C)SN.
What is the InChIKey of S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine?
The InChIKey is JFTPJHJCFFEWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO2PS2/c1-5(2)8-10(11,12-7)9-6(3)4/h5-6H,7H2,1-4H3.
What are the key properties of S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine?
S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine has a molecular weight of 229.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine is sourced from PubChem (CID 12638082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).