benzenecarbodithioic acid;rhenium

C7H6ReS2 — CID 174694582

IUPACbenzenecarbodithioic acid;rhenium
SMILESS=C(S)c1ccccc1.[Re]
InChIInChI=1S/C7H6S2.Re/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);
InChIKeyGGAOMSXUIAESQA-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.29
Rot. Bonds1

About benzenecarbodithioic acid;rhenium

benzenecarbodithioic acid;rhenium (PubChem CID 174694582) has the molecular formula C7H6ReS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is benzenecarbodithioic acid;rhenium.

Molecular Properties

Compound Namebenzenecarbodithioic acid;rhenium
PubChem CID174694582
Molecular FormulaC7H6ReS2
Molecular Weight340.47 g/mol
Exact Mass340.95
IUPAC Namebenzenecarbodithioic acid;rhenium
SMILESS=C(S)c1ccccc1.[Re]
InChIInChI=1S/C7H6S2.Re/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);
InChIKeyGGAOMSXUIAESQA-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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benzenecarbodithioic acid;2-hydroxyethyl 2-methylpropanoate
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phenyl(sulfanylidene)methaneselenolate
CID 101182419
CID 87087528
CID 87087528
1,3-diphenylpropane-1,3-dithione
CID 23346868
benzenecarbodithioic acid;diethyl 2-(2-phenylethyl)propanedioate
CID 175282193
(Z)-1,2-diphenylethene-1,2-diol
CID 11012436
CID 12505640
CID 12505640
sodium;benzenecarbodithioate;hydrate
CID 141096232
copper;carbamodithioic acid;methanidylbenzene
CID 170347539

Frequently Asked Questions

What is the IUPAC name of benzenecarbodithioic acid;rhenium?
The IUPAC name of benzenecarbodithioic acid;rhenium (CID 174694582) is benzenecarbodithioic acid;rhenium.
What is the SMILES notation for benzenecarbodithioic acid;rhenium?
The canonical SMILES for benzenecarbodithioic acid;rhenium is S=C(S)c1ccccc1.[Re].
What is the InChIKey of benzenecarbodithioic acid;rhenium?
The InChIKey is GGAOMSXUIAESQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6S2.Re/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);.
What are the key properties of benzenecarbodithioic acid;rhenium?
benzenecarbodithioic acid;rhenium has a molecular weight of 340.47 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarbodithioic acid;rhenium is sourced from PubChem (CID 174694582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).