CID 132933176

C10H16BrMgS — CID 132933176

IUPAC—
SMILESCCCCCCc1c[c]sc1Br.[H][H].[Mg]
InChIInChI=1S/C10H14BrS.Mg.H2/c1-2-3-4-5-6-9-7-8-12-10(9)11;;/h7H,2-6H2,1H3;;1H
InChIKeyZVUVPEHWPRSSSX-UHFFFAOYSA-N
MW272.51 g/mol
LogP4.30
Rot. Bonds5

About CID 132933176

CID 132933176 (PubChem CID 132933176) has the molecular formula C10H16BrMgS and a molecular weight of 272.51 g/mol.

Molecular Properties

Compound NameCID 132933176
PubChem CID132933176
Molecular FormulaC10H16BrMgS
Molecular Weight272.51 g/mol
Exact Mass271.00
IUPAC Name—
SMILESCCCCCCc1c[c]sc1Br.[H][H].[Mg]
InChIInChI=1S/C10H14BrS.Mg.H2/c1-2-3-4-5-6-9-7-8-12-10(9)11;;/h7H,2-6H2,1H3;;1H
InChIKeyZVUVPEHWPRSSSX-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.51
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 132933176 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

CID 102499230
CID 102499230
2-bromo-3-icosylthiophene
CID 141267982
2-bromo-3-dodecylthiophene
CID 10426816
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
3-bromo-4-heptylthiophene
CID 130384503
3,4-didecylthiophene
CID 21200004
5-bromo-2-(5-bromo-3-octylthiophen-2-yl)-3-octylthiophene
CID 86180196
2,5-dibromo-3,4-didecylthiophene
CID 59856343
5-bromo-3-hexyl-2-methylthiophene
CID 58352067
3-bromo-4-decylbenzenethiol
CID 19016655
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987

Frequently Asked Questions

What is the IUPAC name of CID 132933176?
The IUPAC name of CID 132933176 (CID 132933176) is not available.
What is the SMILES notation for CID 132933176?
The canonical SMILES for CID 132933176 is CCCCCCc1c[c]sc1Br.[H][H].[Mg].
What is the InChIKey of CID 132933176?
The InChIKey is ZVUVPEHWPRSSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrS.Mg.H2/c1-2-3-4-5-6-9-7-8-12-10(9)11;;/h7H,2-6H2,1H3;;1H.
What are the key properties of CID 132933176?
CID 132933176 has a molecular weight of 272.51 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132933176 is sourced from PubChem (CID 132933176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).