CID 164686019

C10H19O3S2 — CID 164686019

IUPAC—
SMILESCCCCS[C](OCC)SCC(=O)OC
InChIInChI=1S/C10H19O3S2/c1-4-6-7-14-10(13-5-2)15-8-9(11)12-3/h4-8H2,1-3H3
InChIKeyIOBWFHVTGWQEPB-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.91
Rot. Bonds9

About CID 164686019

CID 164686019 (PubChem CID 164686019) has the molecular formula C10H19O3S2 and a molecular weight of 251.39 g/mol.

Molecular Properties

Compound NameCID 164686019
PubChem CID164686019
Molecular FormulaC10H19O3S2
Molecular Weight251.39 g/mol
Exact Mass251.08
IUPAC Name—
SMILESCCCCS[C](OCC)SCC(=O)OC
InChIInChI=1S/C10H19O3S2/c1-4-6-7-14-10(13-5-2)15-8-9(11)12-3/h4-8H2,1-3H3
InChIKeyIOBWFHVTGWQEPB-UHFFFAOYSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate
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methyl butylsulfanylformate
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methyl 4-butylsulfanyl-3-oxobutanoate
CID 14002636
methyl 2-hexylsulfanylacetate
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hydrazine;methyl pentanoate
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methyl 13-butylsulfanyltridecanoate
CID 91736181
methyl 6-butylsulfanylhexanoate
CID 158863946
diethyl propanedioate;3-O-ethyl 1-O-methyl propanedioate
CID 91497468
butylsulfanyl(propylsulfanyl)methanone
CID 101135926
ethyl 2-[3-(2-ethoxy-2-oxoethyl)sulfanylpropylsulfanyl]acetate
CID 121219812
ethyl 4-[(2-butylsulfanylacetyl)amino]butanoate
CID 60625559
4-O-ethyl 1-O-methyl butanedioate
CID 522068

Frequently Asked Questions

What is the IUPAC name of CID 164686019?
The IUPAC name of CID 164686019 (CID 164686019) is not available.
What is the SMILES notation for CID 164686019?
The canonical SMILES for CID 164686019 is CCCCS[C](OCC)SCC(=O)OC.
What is the InChIKey of CID 164686019?
The InChIKey is IOBWFHVTGWQEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O3S2/c1-4-6-7-14-10(13-5-2)15-8-9(11)12-3/h4-8H2,1-3H3.
What are the key properties of CID 164686019?
CID 164686019 has a molecular weight of 251.39 g/mol, XLogP of 2.91, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164686019 is sourced from PubChem (CID 164686019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).