CID 156800406

C11H19FNSSn — CID 156800406

IUPAC—
SMILESC=S.CC.C[Sn].Cc1cc(N)cc(F)c1
InChIInChI=1S/C7H8FN.C2H6.CH2S.CH3.Sn/c1-5-2-6(8)4-7(9)3-5;2*1-2;;/h2-4H,9H2,1H3;1-2H3;1H2;1H3;
InChIKeyNAASRCABDUSKQG-UHFFFAOYSA-N
MW335.06 g/mol
LogP3.56
Rot. Bonds

About CID 156800406

CID 156800406 (PubChem CID 156800406) has the molecular formula C11H19FNSSn and a molecular weight of 335.06 g/mol.

Molecular Properties

Compound NameCID 156800406
PubChem CID156800406
Molecular FormulaC11H19FNSSn
Molecular Weight335.06 g/mol
Exact Mass336.02
IUPAC Name—
SMILESC=S.CC.C[Sn].Cc1cc(N)cc(F)c1
InChIInChI=1S/C7H8FN.C2H6.CH2S.CH3.Sn/c1-5-2-6(8)4-7(9)3-5;2*1-2;;/h2-4H,9H2,1H3;1-2H3;1H2;1H3;
InChIKeyNAASRCABDUSKQG-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.06
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 142083431
3-methyl-5-(3,4,5-trifluorophenyl)aniline
CID 107579493
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CID 142843655
3,5-dimethylaniline;2,4,6-trimethylaniline
CID 159725455
dichlorozinc;1,3-difluoro-5-methylbenzene
CID 174706993
3-(1-ethoxyethenyl)-5-fluoroaniline
CID 165464501
3-fluoro-5-iodoaniline
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Frequently Asked Questions

What is the IUPAC name of CID 156800406?
The IUPAC name of CID 156800406 (CID 156800406) is not available.
What is the SMILES notation for CID 156800406?
The canonical SMILES for CID 156800406 is C=S.CC.C[Sn].Cc1cc(N)cc(F)c1.
What is the InChIKey of CID 156800406?
The InChIKey is NAASRCABDUSKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN.C2H6.CH2S.CH3.Sn/c1-5-2-6(8)4-7(9)3-5;2*1-2;;/h2-4H,9H2,1H3;1-2H3;1H2;1H3;.
What are the key properties of CID 156800406?
CID 156800406 has a molecular weight of 335.06 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156800406 is sourced from PubChem (CID 156800406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).