methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C5H20O6P2S2 — CID 173442246

IUPACmethane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESC.C.C=CC.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C3H6.2CH4.2H3O3PS/c1-3-2;;;2*1-4(2,3)5/h3H,1H2,2H3;2*1H4;2*(H3,1,2,3,5)
InChIKeyBKDJDKSJRFDFSR-UHFFFAOYSA-N
MW302.29 g/mol
LogP0.84
Rot. Bonds

About methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 173442246) has the molecular formula C5H20O6P2S2 and a molecular weight of 302.29 g/mol. Its IUPAC name is methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Namemethane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID173442246
Molecular FormulaC5H20O6P2S2
Molecular Weight302.29 g/mol
Exact Mass302.02
IUPAC Namemethane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESC.C.C=CC.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C3H6.2CH4.2H3O3PS/c1-3-2;;;2*1-4(2,3)5/h3H,1H2,2H3;2*1H4;2*(H3,1,2,3,5)
InChIKeyBKDJDKSJRFDFSR-UHFFFAOYSA-N
XLogP0.84
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 50.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173447150
ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175324813
phosphoric acid;prop-1-ene
CID 175586036
ethane;methane;bis(prop-1-ene)
CID 159459488
methane;prop-1-ene;sulfane
CID 20979358
prop-1-ene
CID 162178440
ethenyl-dihydroxy-sulfanylidene-λ5-phosphane
CID 54284161
prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 87783946
methane;oxalonitrile;prop-1-ene
CID 174445104
ethene;tetrakis(prop-1-ene)
CID 158667737
CID 173186715
CID 173186715
azane;tris(prop-1-ene)
CID 173323353

Frequently Asked Questions

What is the IUPAC name of methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 173442246) is methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is C.C.C=CC.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is BKDJDKSJRFDFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.2CH4.2H3O3PS/c1-3-2;;;2*1-4(2,3)5/h3H,1H2,2H3;2*1H4;2*(H3,1,2,3,5).
What are the key properties of methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 302.29 g/mol, XLogP of 0.84, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 173442246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).