2-N-iodobenzene-1,2-diamine;sulfane

C6H9IN2S — CID 175939526

IUPAC2-N-iodobenzene-1,2-diamine;sulfane
SMILESNc1ccccc1NI.S
InChIInChI=1S/C6H7IN2.H2S/c7-9-6-4-2-1-3-5(6)8;/h1-4,9H,8H2;1H2
InChIKeyWYXCONIGDPQSPY-UHFFFAOYSA-N
MW268.12 g/mol
LogP2.14
Rot. Bonds1

About 2-N-iodobenzene-1,2-diamine;sulfane

2-N-iodobenzene-1,2-diamine;sulfane (PubChem CID 175939526) has the molecular formula C6H9IN2S and a molecular weight of 268.12 g/mol. Its IUPAC name is 2-N-iodobenzene-1,2-diamine;sulfane.

Molecular Properties

Compound Name2-N-iodobenzene-1,2-diamine;sulfane
PubChem CID175939526
Molecular FormulaC6H9IN2S
Molecular Weight268.12 g/mol
Exact Mass267.95
IUPAC Name2-N-iodobenzene-1,2-diamine;sulfane
SMILESNc1ccccc1NI.S
InChIInChI=1S/C6H7IN2.H2S/c7-9-6-4-2-1-3-5(6)8;/h1-4,9H,8H2;1H2
InChIKeyWYXCONIGDPQSPY-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-N-sulfidobenzene-1,2-diamine
CID 171097854
1-(2-aminophenyl)-3-iodourea
CID 130470631
methane;2-N-phosphanylbenzene-1,2-diamine
CID 143707966
ethane;2-N-methylbenzene-1,2-diamine
CID 91146948
ethane;2-hydrazinylaniline;molecular hydrogen
CID 142165021
2-bromo-N-iodoaniline
CID 142016929
2-N-tert-butylbenzene-1,2-diamine;hydrochloride
CID 91654382
2-N-dimethylphosphanylbenzene-1,2-diamine;ethane
CID 143333934
2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine
CID 18522059
benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
benzene-1,2-diamine;zinc
CID 70562194
2-(2-aminoanilino)ethanethiol
CID 10773435

Frequently Asked Questions

What is the IUPAC name of 2-N-iodobenzene-1,2-diamine;sulfane?
The IUPAC name of 2-N-iodobenzene-1,2-diamine;sulfane (CID 175939526) is 2-N-iodobenzene-1,2-diamine;sulfane.
What is the SMILES notation for 2-N-iodobenzene-1,2-diamine;sulfane?
The canonical SMILES for 2-N-iodobenzene-1,2-diamine;sulfane is Nc1ccccc1NI.S.
What is the InChIKey of 2-N-iodobenzene-1,2-diamine;sulfane?
The InChIKey is WYXCONIGDPQSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2.H2S/c7-9-6-4-2-1-3-5(6)8;/h1-4,9H,8H2;1H2.
What are the key properties of 2-N-iodobenzene-1,2-diamine;sulfane?
2-N-iodobenzene-1,2-diamine;sulfane has a molecular weight of 268.12 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-iodobenzene-1,2-diamine;sulfane is sourced from PubChem (CID 175939526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).