CID 102301295

C16H27ClSZn- — CID 102301295

IUPAC—
SMILESCCCCCCCCCCCCc1c[c]sc1.[Cl-].[Zn]
InChIInChI=1S/C16H27S.ClH.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16;;/h13,15H,2-12H2,1H3;1H;/p-1
InChIKeyJJRNFMKJAZJINK-UHFFFAOYSA-M
MW352.30 g/mol
LogP3.01
Rot. Bonds11

About CID 102301295

CID 102301295 (PubChem CID 102301295) has the molecular formula C16H27ClSZn- and a molecular weight of 352.30 g/mol.

Molecular Properties

Compound NameCID 102301295
PubChem CID102301295
Molecular FormulaC16H27ClSZn-
Molecular Weight352.30 g/mol
Exact Mass350.08
IUPAC Name—
SMILESCCCCCCCCCCCCc1c[c]sc1.[Cl-].[Zn]
InChIInChI=1S/C16H27S.ClH.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16;;/h13,15H,2-12H2,1H3;1H;/p-1
InChIKeyJJRNFMKJAZJINK-UHFFFAOYSA-M
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 102301295 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

Tributyl-(4-hexyl-2-thienyl)stannane
CID 102173900
1-butyl-4-nonylbenzene
CID 59545302
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
3-heptylthiophene;3-hexylthiophene
CID 159152668
4-nonyl-2-(4-nonylthiophen-2-yl)thiophene
CID 139119009
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
3,4-didecylthiophene
CID 21200004
1-ethyl-4-octacosylbenzene
CID 175218304
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of CID 102301295?
The IUPAC name of CID 102301295 (CID 102301295) is not available.
What is the SMILES notation for CID 102301295?
The canonical SMILES for CID 102301295 is CCCCCCCCCCCCc1c[c]sc1.[Cl-].[Zn].
What is the InChIKey of CID 102301295?
The InChIKey is JJRNFMKJAZJINK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H27S.ClH.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16;;/h13,15H,2-12H2,1H3;1H;/p-1.
What are the key properties of CID 102301295?
CID 102301295 has a molecular weight of 352.30 g/mol, XLogP of 3.01, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102301295 is sourced from PubChem (CID 102301295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).