CID 173452293

C10H20NaO2S — CID 173452293

IUPAC—
SMILESCC(C)CCCCCOC(=O)CS.[Na]
InChIInChI=1S/C10H20O2S.Na/c1-9(2)6-4-3-5-7-12-10(11)8-13;/h9,13H,3-8H2,1-2H3;
InChIKeyGHPGFZISCWLEBO-UHFFFAOYSA-N
MW227.32 g/mol
LogP2.30
Rot. Bonds7

About CID 173452293

CID 173452293 (PubChem CID 173452293) has the molecular formula C10H20NaO2S and a molecular weight of 227.32 g/mol.

Molecular Properties

Compound NameCID 173452293
PubChem CID173452293
Molecular FormulaC10H20NaO2S
Molecular Weight227.32 g/mol
Exact Mass227.11
IUPAC Name—
SMILESCC(C)CCCCCOC(=O)CS.[Na]
InChIInChI=1S/C10H20O2S.Na/c1-9(2)6-4-3-5-7-12-10(11)8-13;/h9,13H,3-8H2,1-2H3;
InChIKeyGHPGFZISCWLEBO-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 173452293 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methylheptyl 2-sulfanylacetate;neodymium
CID 174534335
bis(6-methylheptyl) propanedioate
CID 141192474
14-methylpentadecyl 13-methyltetradecanoate
CID 139914439
14-methylpentadecyl 9-methyldecanoate
CID 139914480
6-methylheptyl 2-hydroxyacetate
CID 139509874
bis(10-methylundecyl) octanedioate
CID 121388088
14-methylpentadecyl 12-methyltridecanoate
CID 54008105
15-methylhexadecyl 4-methylpentanoate
CID 175048377
bis(6-methylheptyl) undecanedioate
CID 141305471
bis(13-methyltetradecyl) nonanedioate
CID 121387990
bis(14-methylpentadecyl) nonanedioate
CID 23368809
10-methylundecyl 9-methyldecanoate
CID 139914472

Frequently Asked Questions

What is the IUPAC name of CID 173452293?
The IUPAC name of CID 173452293 (CID 173452293) is not available.
What is the SMILES notation for CID 173452293?
The canonical SMILES for CID 173452293 is CC(C)CCCCCOC(=O)CS.[Na].
What is the InChIKey of CID 173452293?
The InChIKey is GHPGFZISCWLEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S.Na/c1-9(2)6-4-3-5-7-12-10(11)8-13;/h9,13H,3-8H2,1-2H3;.
What are the key properties of CID 173452293?
CID 173452293 has a molecular weight of 227.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173452293 is sourced from PubChem (CID 173452293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).