CID 165155976

C7H10O4S — CID 165155976

IUPAC—
SMILES[CH]CCS(=O)(=O)COCC([CH])=O
InChIInChI=1S/C7H10O4S/c1-3-4-12(9,10)6-11-5-7(2)8/h1-2H,3-6H2
InChIKeyBKHXHIHGLWOIGQ-UHFFFAOYSA-N
MW190.22 g/mol
LogP-0.24
Rot. Bonds6

About CID 165155976

CID 165155976 (PubChem CID 165155976) has the molecular formula C7H10O4S and a molecular weight of 190.22 g/mol.

Molecular Properties

Compound NameCID 165155976
PubChem CID165155976
Molecular FormulaC7H10O4S
Molecular Weight190.22 g/mol
Exact Mass190.03
IUPAC Name—
SMILES[CH]CCS(=O)(=O)COCC([CH])=O
InChIInChI=1S/C7H10O4S/c1-3-4-12(9,10)6-11-5-7(2)8/h1-2H,3-6H2
InChIKeyBKHXHIHGLWOIGQ-UHFFFAOYSA-N
XLogP-0.24
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 165155976?
The IUPAC name of CID 165155976 (CID 165155976) is not available.
What is the SMILES notation for CID 165155976?
The canonical SMILES for CID 165155976 is [CH]CCS(=O)(=O)COCC([CH])=O.
What is the InChIKey of CID 165155976?
The InChIKey is BKHXHIHGLWOIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4S/c1-3-4-12(9,10)6-11-5-7(2)8/h1-2H,3-6H2.
What are the key properties of CID 165155976?
CID 165155976 has a molecular weight of 190.22 g/mol, XLogP of -0.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165155976 is sourced from PubChem (CID 165155976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).