S-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate

C4H5N3OS2 — CID 59269151

IUPACS-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate
SMILESCc1nc(SC(N)=O)ns1
InChIInChI=1S/C4H5N3OS2/c1-2-6-4(7-10-2)9-3(5)8/h1H3,(H2,5,8)
InChIKeyCPHAYNUWHGMGGY-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.02
Rot. Bonds1

About S-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate

S-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate (PubChem CID 59269151) has the molecular formula C4H5N3OS2 and a molecular weight of 175.24 g/mol. Its IUPAC name is S-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate.

Molecular Properties

Compound NameS-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate
PubChem CID59269151
Molecular FormulaC4H5N3OS2
Molecular Weight175.24 g/mol
Exact Mass174.99
IUPAC NameS-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate
SMILESCc1nc(SC(N)=O)ns1
InChIInChI=1S/C4H5N3OS2/c1-2-6-4(7-10-2)9-3(5)8/h1H3,(H2,5,8)
InChIKeyCPHAYNUWHGMGGY-UHFFFAOYSA-N
XLogP1.02
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-1,2,4-thiadiazol-3-amine
CID 12246462
5-Methyl-3-methylsulfanyl-1,2,4-thiadiazole
CID 21365791
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N,N-dimethylcarbamothioate
CID 59269030
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxycarbamothioate
CID 59269095
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethyl-N-methylcarbamothioate
CID 59269141
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methylcarbamothioate
CID 59269163
S-(5-methyl-1,2,4-thiadiazol-3-yl) ethanethioate
CID 59269331
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethylcarbamothioate
CID 59269726
Ethane;5-methyl-1,2,4-thiadiazol-3-amine
CID 145154256
3-Isocyanato-5-methyl-1,2,4-thiadiazole
CID 83913977

Frequently Asked Questions

What is the IUPAC name of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate?
The IUPAC name of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate (CID 59269151) is S-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate.
What is the SMILES notation for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate?
The canonical SMILES for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate is Cc1nc(SC(N)=O)ns1.
What is the InChIKey of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate?
The InChIKey is CPHAYNUWHGMGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS2/c1-2-6-4(7-10-2)9-3(5)8/h1H3,(H2,5,8).
What are the key properties of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate?
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate has a molecular weight of 175.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate is sourced from PubChem (CID 59269151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).