bis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid)

C12H22O8S2Sn — CID 161196801

IUPACbis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid)
SMILESCOC(=O)CC[Sn]CCC(=O)OC.O=C(O)CS.O=C(O)CS
InChIInChI=1S/2C4H7O2.2C2H4O2S.Sn/c2*1-3-4(5)6-2;2*3-2(4)1-5;/h2*1,3H2,2H3;2*5H,1H2,(H,3,4);
InChIKeyUULLANJEALHVBG-UHFFFAOYSA-N
MW477.15 g/mol
LogP0.65
Rot. Bonds8

About bis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid)

bis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid) (PubChem CID 161196801) has the molecular formula C12H22O8S2Sn and a molecular weight of 477.15 g/mol. Its IUPAC name is bis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid).

Molecular Properties

Compound Namebis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid)
PubChem CID161196801
Molecular FormulaC12H22O8S2Sn
Molecular Weight477.15 g/mol
Exact Mass477.98
IUPAC Namebis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid)
SMILESCOC(=O)CC[Sn]CCC(=O)OC.O=C(O)CS.O=C(O)CS
InChIInChI=1S/2C4H7O2.2C2H4O2S.Sn/c2*1-3-4(5)6-2;2*3-2(4)1-5;/h2*1,3H2,2H3;2*5H,1H2,(H,3,4);
InChIKeyUULLANJEALHVBG-UHFFFAOYSA-N
XLogP0.65
TPSA127.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.15
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(3-methoxy-3-oxopropyl)tin;dihydrochloride
CID 74765132
bis(3-oxobutyl)tin;bis(2-sulfanylacetic acid)
CID 160752654
chloro-(3-methoxy-3-oxopropyl)tin
CID 88776688
methanol;4-methoxy-4-oxobutanoic acid
CID 91072132
iodomethane;4-methoxy-4-oxobutanoic acid
CID 87985757
3-[2-[2-[2-[2-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172894169
hexakis(butanedioic acid);ethane-1,2-diol;4-methoxy-4-oxobutanoic acid
CID 173361871
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
methyl 3-[(2-sulfanylacetyl)amino]propanoate
CID 87900240
CID 88795318
CID 88795318
ethane-1,2-diol;hydroperoxymethane;bis(2-sulfanylacetic acid)
CID 174802010
methyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate
CID 13124175

Frequently Asked Questions

What is the IUPAC name of bis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid)?
The IUPAC name of bis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid) (CID 161196801) is bis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid).
What is the SMILES notation for bis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid)?
The canonical SMILES for bis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid) is COC(=O)CC[Sn]CCC(=O)OC.O=C(O)CS.O=C(O)CS.
What is the InChIKey of bis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid)?
The InChIKey is UULLANJEALHVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7O2.2C2H4O2S.Sn/c2*1-3-4(5)6-2;2*3-2(4)1-5;/h2*1,3H2,2H3;2*5H,1H2,(H,3,4);.
What are the key properties of bis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid)?
bis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid) has a molecular weight of 477.15 g/mol, XLogP of 0.65, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid) is sourced from PubChem (CID 161196801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).