lithium (4-chloroanilino)methanethione

C7H5ClLiNS — CID 145496257

IUPAClithium (4-chloroanilino)methanethione
SMILESS=[C-]Nc1ccc(Cl)cc1.[Li+]
InChIInChI=1S/C7H5ClNS.Li/c8-6-1-3-7(4-2-6)9-5-10;/h1-4H,(H,9,10);/q-1;+1
InChIKeyAORAXHUKZIDNGE-UHFFFAOYSA-N
MW177.59 g/mol
LogP-0.41
Rot. Bonds2

About lithium (4-chloroanilino)methanethione

lithium (4-chloroanilino)methanethione (PubChem CID 145496257) has the molecular formula C7H5ClLiNS and a molecular weight of 177.59 g/mol. Its IUPAC name is lithium (4-chloroanilino)methanethione.

Molecular Properties

Compound Namelithium (4-chloroanilino)methanethione
PubChem CID145496257
Molecular FormulaC7H5ClLiNS
Molecular Weight177.59 g/mol
Exact Mass177.00
IUPAC Namelithium (4-chloroanilino)methanethione
SMILESS=[C-]Nc1ccc(Cl)cc1.[Li+]
InChIInChI=1S/C7H5ClNS.Li/c8-6-1-3-7(4-2-6)9-5-10;/h1-4H,(H,9,10);/q-1;+1
InChIKeyAORAXHUKZIDNGE-UHFFFAOYSA-N
XLogP-0.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
CID 22968513
(4-chloroanilino)azanium
CID 3818592
azane;1,4-dichlorobenzene
CID 69330361
N-(4-chlorophenyl)thiohydroxylamine;ethane
CID 156859747
4-chloro-N-methoxyaniline
CID 10397071
N-(4-chlorophenyl)-2,6-dimethylaniline
CID 10977319
2,3,5,6-tetrachloro-N-(4-chlorophenyl)pyridin-4-amine
CID 91252830
tris(4-chlorophenyl)phosphanium
CID 23413716
4-chloro-N-propan-2-ylaniline;hydrochloride
CID 18349750
4-(4-chlorophenyl)-N-methylaniline;hydrochloride
CID 137319755
3-(4-chlorophenyl)-1-methyl-1-propan-2-ylthiourea
CID 8669365
sodium N-(4-chloroanilino)sulfamate
CID 102269786

Frequently Asked Questions

What is the IUPAC name of lithium (4-chloroanilino)methanethione?
The IUPAC name of lithium (4-chloroanilino)methanethione (CID 145496257) is lithium (4-chloroanilino)methanethione.
What is the SMILES notation for lithium (4-chloroanilino)methanethione?
The canonical SMILES for lithium (4-chloroanilino)methanethione is S=[C-]Nc1ccc(Cl)cc1.[Li+].
What is the InChIKey of lithium (4-chloroanilino)methanethione?
The InChIKey is AORAXHUKZIDNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClNS.Li/c8-6-1-3-7(4-2-6)9-5-10;/h1-4H,(H,9,10);/q-1;+1.
What are the key properties of lithium (4-chloroanilino)methanethione?
lithium (4-chloroanilino)methanethione has a molecular weight of 177.59 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4-chloroanilino)methanethione is sourced from PubChem (CID 145496257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).