CID 88795318

C6H15O2SSn — CID 88795318

IUPAC—
SMILESCOC(=O)CS.C[Sn](C)C
InChIInChI=1S/C3H6O2S.3CH3.Sn/c1-5-3(4)2-6;;;;/h6H,2H2,1H3;3*1H3;
InChIKeyUWLHJPFUINTISB-UHFFFAOYSA-N
MW269.96 g/mol
LogP1.46
Rot. Bonds1

About CID 88795318

CID 88795318 (PubChem CID 88795318) has the molecular formula C6H15O2SSn and a molecular weight of 269.96 g/mol.

Molecular Properties

Compound NameCID 88795318
PubChem CID88795318
Molecular FormulaC6H15O2SSn
Molecular Weight269.96 g/mol
Exact Mass270.98
IUPAC Name—
SMILESCOC(=O)CS.C[Sn](C)C
InChIInChI=1S/C3H6O2S.3CH3.Sn/c1-5-3(4)2-6;;;;/h6H,2H2,1H3;3*1H3;
InChIKeyUWLHJPFUINTISB-UHFFFAOYSA-N
XLogP1.46
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.96
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 88795565
CID 88795565
CID 87726616
CID 87726616
methyl 3-[(2-sulfanylacetyl)amino]propanoate
CID 87900240
sulfanyl 2-sulfanylacetate
CID 54111744
bis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid)
CID 161196801
methyl 3,4-bis(sulfanyl)butanoate
CID 91340238
(3-methoxy-3-oxopropylidene)tin
CID 88790044
methyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate
CID 13124175
methyl 2-selanylacetate
CID 171384637
CID 87773794
CID 87773794
methyl propanoate;dihydrochloride
CID 140968159
(2-methoxy-2-oxoethyl)phosphanium bromide
CID 44717091

Frequently Asked Questions

What is the IUPAC name of CID 88795318?
The IUPAC name of CID 88795318 (CID 88795318) is not available.
What is the SMILES notation for CID 88795318?
The canonical SMILES for CID 88795318 is COC(=O)CS.C[Sn](C)C.
What is the InChIKey of CID 88795318?
The InChIKey is UWLHJPFUINTISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2S.3CH3.Sn/c1-5-3(4)2-6;;;;/h6H,2H2,1H3;3*1H3;.
What are the key properties of CID 88795318?
CID 88795318 has a molecular weight of 269.96 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88795318 is sourced from PubChem (CID 88795318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).