2-iodo-5-phenyl-1,3-thiaselenol-2-amine

C9H8INSSe — CID 134938444

IUPAC2-iodo-5-phenyl-1,3-thiaselenol-2-amine
SMILESNC1(I)SC(c2ccccc2)=C[Se]1
InChIInChI=1S/C9H8INSSe/c10-9(11)12-8(6-13-9)7-4-2-1-3-5-7/h1-6H,11H2
InChIKeyQXKSTRHULLVSEC-UHFFFAOYSA-N
MW368.10 g/mol
LogP2.44
Rot. Bonds1

About 2-iodo-5-phenyl-1,3-thiaselenol-2-amine

2-iodo-5-phenyl-1,3-thiaselenol-2-amine (PubChem CID 134938444) has the molecular formula C9H8INSSe and a molecular weight of 368.10 g/mol. Its IUPAC name is 2-iodo-5-phenyl-1,3-thiaselenol-2-amine.

Molecular Properties

Compound Name2-iodo-5-phenyl-1,3-thiaselenol-2-amine
PubChem CID134938444
Molecular FormulaC9H8INSSe
Molecular Weight368.10 g/mol
Exact Mass368.86
IUPAC Name2-iodo-5-phenyl-1,3-thiaselenol-2-amine
SMILESNC1(I)SC(c2ccccc2)=C[Se]1
InChIInChI=1S/C9H8INSSe/c10-9(11)12-8(6-13-9)7-4-2-1-3-5-7/h1-6H,11H2
InChIKeyQXKSTRHULLVSEC-UHFFFAOYSA-N
XLogP2.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.10
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;molecular hydrogen
CID 173033571
benzene;tris(1,1'-biphenyl)
CID 162155747
2,4-dimethyl-2,6-diphenylthiopyran
CID 86008412
2,4,6-triphenylbenzene-1,3,5-triamine
CID 22926582
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
CID 53446764
CID 53446764
1,1'-biphenyl;mercury
CID 67099988
1,1'-biphenyl;hydrofluoride
CID 67516975
bis(1,1'-biphenyl);sulfane
CID 22247507
1,1'-biphenyl;indigane
CID 174363765
1,1'-biphenyl;hydroiodide
CID 66586334
benzene;bis(1,1'-biphenyl);methane
CID 158742993

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-phenyl-1,3-thiaselenol-2-amine?
The IUPAC name of 2-iodo-5-phenyl-1,3-thiaselenol-2-amine (CID 134938444) is 2-iodo-5-phenyl-1,3-thiaselenol-2-amine.
What is the SMILES notation for 2-iodo-5-phenyl-1,3-thiaselenol-2-amine?
The canonical SMILES for 2-iodo-5-phenyl-1,3-thiaselenol-2-amine is NC1(I)SC(c2ccccc2)=C[Se]1.
What is the InChIKey of 2-iodo-5-phenyl-1,3-thiaselenol-2-amine?
The InChIKey is QXKSTRHULLVSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INSSe/c10-9(11)12-8(6-13-9)7-4-2-1-3-5-7/h1-6H,11H2.
What are the key properties of 2-iodo-5-phenyl-1,3-thiaselenol-2-amine?
2-iodo-5-phenyl-1,3-thiaselenol-2-amine has a molecular weight of 368.10 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-phenyl-1,3-thiaselenol-2-amine is sourced from PubChem (CID 134938444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).