3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium

C13H11ReS- — CID 178168337

IUPAC3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium
SMILESSc1[c-]c2ccccc2cc1C1CC1.[Re]
InChIInChI=1S/C13H11S.Re/c14-13-8-11-4-2-1-3-10(11)7-12(13)9-5-6-9;/h1-4,7,9,14H,5-6H2;/q-1;
InChIKeyIAAQKATWDJGHBS-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.80
Rot. Bonds1

About 3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium

3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium (PubChem CID 178168337) has the molecular formula C13H11ReS- and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium.

Molecular Properties

Compound Name3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium
PubChem CID178168337
Molecular FormulaC13H11ReS-
Molecular Weight385.51 g/mol
Exact Mass386.01
IUPAC Name3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium
SMILESSc1[c-]c2ccccc2cc1C1CC1.[Re]
InChIInChI=1S/C13H11S.Re/c14-13-8-11-4-2-1-3-10(11)7-12(13)9-5-6-9;/h1-4,7,9,14H,5-6H2;/q-1;
InChIKeyIAAQKATWDJGHBS-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium 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

sodium 9H-anthracen-9-ide
CID 86121808
9H-anthracen-9-ide;carbanide;yttrium
CID 170732925
2-chloro-3-cyclopropylquinoline
CID 14001233
9H-anthracen-9-ide;bromozinc(1+)
CID 171991378
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
4-cyclopropylpyrene
CID 151298183
2-[3,5-bis(3-isocyanonaphthalen-2-yl)cyclohexyl]-3-isocyanonaphthalene
CID 58239982
2-chloro-3-cyclohexylquinoline
CID 14001235
4-cyclopropylbenzo[g][1]benzofuran
CID 25258209
undecacyclo[26.10.2.29,20.02,27.04,25.06,23.08,21.010,19.012,17.029,38.031,36]dotetraconta-2(27),3,5,7,10,12,14,16,18,21,23,25,29,31,33,35,37-heptadecaene
CID 58625358
2-cyclopentylnaphthalene-1-thiol
CID 67281948
1-tert-butyl-8-cyclopropylnaphthalene
CID 156665597

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium?
The IUPAC name of 3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium (CID 178168337) is 3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium.
What is the SMILES notation for 3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium?
The canonical SMILES for 3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium is Sc1[c-]c2ccccc2cc1C1CC1.[Re].
What is the InChIKey of 3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium?
The InChIKey is IAAQKATWDJGHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11S.Re/c14-13-8-11-4-2-1-3-10(11)7-12(13)9-5-6-9;/h1-4,7,9,14H,5-6H2;/q-1;.
What are the key properties of 3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium?
3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium has a molecular weight of 385.51 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium is sourced from PubChem (CID 178168337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).