5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole

C5H5ClN2S2 — CID 175238502

IUPAC5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole
SMILESC=CCC1=NS(=S)C(Cl)=N1
InChIInChI=1S/C5H5ClN2S2/c1-2-3-4-7-5(6)10(9)8-4/h2H,1,3H2
InChIKeyPQVVQAHDOCLHTI-UHFFFAOYSA-N
MW192.70 g/mol
LogP1.56
Rot. Bonds2

About 5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole

5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole (PubChem CID 175238502) has the molecular formula C5H5ClN2S2 and a molecular weight of 192.70 g/mol. Its IUPAC name is 5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole
PubChem CID175238502
Molecular FormulaC5H5ClN2S2
Molecular Weight192.70 g/mol
Exact Mass191.96
IUPAC Name5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole
SMILESC=CCC1=NS(=S)C(Cl)=N1
InChIInChI=1S/C5H5ClN2S2/c1-2-3-4-7-5(6)10(9)8-4/h2H,1,3H2
InChIKeyPQVVQAHDOCLHTI-UHFFFAOYSA-N
XLogP1.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.70
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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copper(1+);prop-2-enylcarbamothioylazanide
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N-chloro-4-prop-2-enylhepta-1,6-dien-4-amine
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5-chloro-N-prop-2-enylpyrimidin-2-amine
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4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine
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3-N,6-N-bis(prop-2-enyl)-1,2,4,5-tetrazine-3,6-diamine
CID 535108
2-prop-2-enyl-4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole
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CID 20526273

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole (CID 175238502) is 5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole is C=CCC1=NS(=S)C(Cl)=N1.
What is the InChIKey of 5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole?
The InChIKey is PQVVQAHDOCLHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2S2/c1-2-3-4-7-5(6)10(9)8-4/h2H,1,3H2.
What are the key properties of 5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole?
5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole has a molecular weight of 192.70 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole is sourced from PubChem (CID 175238502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).