dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid

C3H7O4PS2 — CID 158404852

IUPACdihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid
SMILESC=CC(=O)O.OP(O)(=S)S
InChIInChI=1S/C3H4O2.H3O2PS2/c1-2-3(4)5;1-3(2,4)5/h2H,1H2,(H,4,5);(H3,1,2,4,5)
InChIKeyGYOATTCJMQRUFD-UHFFFAOYSA-N
MW202.19 g/mol
LogP0.38
Rot. Bonds1

About dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid

dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid (PubChem CID 158404852) has the molecular formula C3H7O4PS2 and a molecular weight of 202.19 g/mol. Its IUPAC name is dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid.

Molecular Properties

Compound Namedihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid
PubChem CID158404852
Molecular FormulaC3H7O4PS2
Molecular Weight202.19 g/mol
Exact Mass201.95
IUPAC Namedihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid
SMILESC=CC(=O)O.OP(O)(=S)S
InChIInChI=1S/C3H4O2.H3O2PS2/c1-2-3(4)5;1-3(2,4)5/h2H,1H2,(H,4,5);(H3,1,2,4,5)
InChIKeyGYOATTCJMQRUFD-UHFFFAOYSA-N
XLogP0.38
TPSA77.76 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

prop-2-enoic acid;sulfanol
CID 159751366
methanethiol;prop-2-enoic acid
CID 158379466
carbonothioic O,S-acid;prop-2-enoic acid
CID 87149914
bis(prop-2-enoic acid);hydrochloride
CID 88811054
cerium;bis(prop-2-enoic acid)
CID 169316659
iron(2+);prop-2-enoic acid
CID 10290804
CID 87061462
CID 87061462
prop-2-enoic acid;hydrochloride
CID 22354205
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019
lutetium;tris(prop-2-enoic acid)
CID 168865611
Acrylic acid potassium salt
CID 87124626

Frequently Asked Questions

What is the IUPAC name of dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid?
The IUPAC name of dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid (CID 158404852) is dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid.
What is the SMILES notation for dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid?
The canonical SMILES for dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid is C=CC(=O)O.OP(O)(=S)S.
What is the InChIKey of dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid?
The InChIKey is GYOATTCJMQRUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.H3O2PS2/c1-2-3(4)5;1-3(2,4)5/h2H,1H2,(H,4,5);(H3,1,2,4,5).
What are the key properties of dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid?
dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid has a molecular weight of 202.19 g/mol, XLogP of 0.38, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid is sourced from PubChem (CID 158404852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).