5-iodosulfanyl-1,3,4-thiadiazole-2-thiolate

C2IN2S3- — CID 163805160

IUPAC5-iodosulfanyl-1,3,4-thiadiazole-2-thiolate
SMILES[S-]c1nnc(SI)s1
InChIInChI=1S/C2HIN2S3/c3-8-2-5-4-1(6)7-2/h(H,4,6)/p-1
InChIKeyNIKCNADHZKHHKG-UHFFFAOYSA-M
MW275.14 g/mol
LogP1.89
Rot. Bonds1

About 5-iodosulfanyl-1,3,4-thiadiazole-2-thiolate

5-iodosulfanyl-1,3,4-thiadiazole-2-thiolate (PubChem CID 163805160) has the molecular formula C2IN2S3- and a molecular weight of 275.14 g/mol. Its IUPAC name is 5-iodosulfanyl-1,3,4-thiadiazole-2-thiolate.

Molecular Properties

Compound Name5-iodosulfanyl-1,3,4-thiadiazole-2-thiolate
PubChem CID163805160
Molecular FormulaC2IN2S3-
Molecular Weight275.14 g/mol
Exact Mass274.83
IUPAC Name5-iodosulfanyl-1,3,4-thiadiazole-2-thiolate
SMILES[S-]c1nnc(SI)s1
InChIInChI=1S/C2HIN2S3/c3-8-2-5-4-1(6)7-2/h(H,4,6)/p-1
InChIKeyNIKCNADHZKHHKG-UHFFFAOYSA-M
XLogP1.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

5-(2-carboxyethylsulfanyl)-1,3,4-thiadiazole-2-thiolate
CID 170703338
potassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate
CID 102342833
5-(5-ethenyl-2-hydroxycyclohexyl)sulfanyl-1,3,4-thiadiazole-2-thiolate;tetrabutylazanium
CID 50994993
copper 5-[10-(5-sulfido-1,3,4-thiadiazol-2-yl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]-1,3,4-thiadiazole-2-thiolate
CID 6102420
5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 14601483
methane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole
CID 158724594
2-butylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 154361514
5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 115626683
5-(isocyanomethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 20623947
2-(3-bromopropylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 115382657
5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 13142198
2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
CID 20588041

Frequently Asked Questions

What is the IUPAC name of 5-iodosulfanyl-1,3,4-thiadiazole-2-thiolate?
The IUPAC name of 5-iodosulfanyl-1,3,4-thiadiazole-2-thiolate (CID 163805160) is 5-iodosulfanyl-1,3,4-thiadiazole-2-thiolate.
What is the SMILES notation for 5-iodosulfanyl-1,3,4-thiadiazole-2-thiolate?
The canonical SMILES for 5-iodosulfanyl-1,3,4-thiadiazole-2-thiolate is [S-]c1nnc(SI)s1.
What is the InChIKey of 5-iodosulfanyl-1,3,4-thiadiazole-2-thiolate?
The InChIKey is NIKCNADHZKHHKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HIN2S3/c3-8-2-5-4-1(6)7-2/h(H,4,6)/p-1.
What are the key properties of 5-iodosulfanyl-1,3,4-thiadiazole-2-thiolate?
5-iodosulfanyl-1,3,4-thiadiazole-2-thiolate has a molecular weight of 275.14 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodosulfanyl-1,3,4-thiadiazole-2-thiolate is sourced from PubChem (CID 163805160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).