ethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid)

C10H22O7S2 — CID 174510953

IUPACethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid)
SMILESC=CCOC.O=C(O)CS.O=C(O)CS.OCCO
InChIInChI=1S/C4H8O.2C2H4O2S.C2H6O2/c1-3-4-5-2;2*3-2(4)1-5;3-1-2-4/h3H,1,4H2,2H3;2*5H,1H2,(H,3,4);3-4H,1-2H2
InChIKeyUFOBWCZBTFYVSU-UHFFFAOYSA-N
MW318.41 g/mol
LogP-0.21
Rot. Bonds5

About ethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid)

ethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid) (PubChem CID 174510953) has the molecular formula C10H22O7S2 and a molecular weight of 318.41 g/mol. Its IUPAC name is ethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid).

Molecular Properties

Compound Nameethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid)
PubChem CID174510953
Molecular FormulaC10H22O7S2
Molecular Weight318.41 g/mol
Exact Mass318.08
IUPAC Nameethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid)
SMILESC=CCOC.O=C(O)CS.O=C(O)CS.OCCO
InChIInChI=1S/C4H8O.2C2H4O2S.C2H6O2/c1-3-4-5-2;2*3-2(4)1-5;3-1-2-4/h3H,1,4H2,2H3;2*5H,1H2,(H,3,4);3-4H,1-2H2
InChIKeyUFOBWCZBTFYVSU-UHFFFAOYSA-N
XLogP-0.21
TPSA124.29 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.41
LogP ≤ 5-0.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;prop-1-ene;bis(2-sulfanylacetic acid)
CID 174510482
ethane-1,2-diol;hydroperoxymethane;bis(2-sulfanylacetic acid)
CID 174802010
decanedioic acid;3-methoxyprop-1-ene
CID 175934270
ethane-1,2-diol;bis(2-sulfanylacetic acid);hydrate
CID 175262329
ethane-1,2-diol;prop-2-enenitrile;bis(2-sulfanylacetic acid)
CID 174697921
2,2-dimethylpropane;ethane-1,2-diol;bis(2-sulfanylacetic acid)
CID 174575627
ethane-1,2-diol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;bis(2-sulfanylacetic acid)
CID 174591214
butan-1-ol;ethane;3-methoxyprop-1-ene
CID 142059621
3-methoxyprop-1-ene;3-methylbutan-1-ol
CID 87580492
methoxyethane;3-methoxyprop-1-ene;methyl acetate
CID 158707708
2-hydroxyacetic acid;prop-2-ene-1-thiol
CID 88789188
but-1-ene;3-methoxyprop-1-ene
CID 157168477

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid)?
The IUPAC name of ethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid) (CID 174510953) is ethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid).
What is the SMILES notation for ethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid)?
The canonical SMILES for ethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid) is C=CCOC.O=C(O)CS.O=C(O)CS.OCCO.
What is the InChIKey of ethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid)?
The InChIKey is UFOBWCZBTFYVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.2C2H4O2S.C2H6O2/c1-3-4-5-2;2*3-2(4)1-5;3-1-2-4/h3H,1,4H2,2H3;2*5H,1H2,(H,3,4);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid)?
ethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid) has a molecular weight of 318.41 g/mol, XLogP of -0.21, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid) is sourced from PubChem (CID 174510953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).