3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol

C3H9O3PS2 — CID 152706719

IUPAC3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol
SMILESOCCCOP(O)(=S)S
InChIInChI=1S/C3H9O3PS2/c4-2-1-3-6-7(5,8)9/h4H,1-3H2,(H2,5,8,9)
InChIKeyZSSNQFMMDFAYGD-UHFFFAOYSA-N
MW188.21 g/mol
LogP0.53
Rot. Bonds4

About 3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol

3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol (PubChem CID 152706719) has the molecular formula C3H9O3PS2 and a molecular weight of 188.21 g/mol. Its IUPAC name is 3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol
PubChem CID152706719
Molecular FormulaC3H9O3PS2
Molecular Weight188.21 g/mol
Exact Mass187.97
IUPAC Name3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol
SMILESOCCCOP(O)(=S)S
InChIInChI=1S/C3H9O3PS2/c4-2-1-3-6-7(5,8)9/h4H,1-3H2,(H2,5,8,9)
InChIKeyZSSNQFMMDFAYGD-UHFFFAOYSA-N
XLogP0.53
TPSA49.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-hydroxypropyl dihydrogen phosphate;phosphoric acid
CID 139534091
12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol
CID 123445050
chloro 3-hydroxypropyl hydrogen phosphate
CID 87143466
aminomethyl(3-hydroxypropoxy)phosphinic acid
CID 154247476
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
CID 156594251
CID 156594251
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane
CID 53306789
4-difluorophosphoryloxybutan-1-ol
CID 178182563

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol?
The IUPAC name of 3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol (CID 152706719) is 3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol.
What is the SMILES notation for 3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol?
The canonical SMILES for 3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol is OCCCOP(O)(=S)S.
What is the InChIKey of 3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol?
The InChIKey is ZSSNQFMMDFAYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O3PS2/c4-2-1-3-6-7(5,8)9/h4H,1-3H2,(H2,5,8,9).
What are the key properties of 3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol?
3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol has a molecular weight of 188.21 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol is sourced from PubChem (CID 152706719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).