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

C5H7N3O2S2 — CID 59269095

IUPACS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxycarbamothioate
SMILESCONC(=O)Sc1nsc(C)n1
InChIInChI=1S/C5H7N3O2S2/c1-3-6-4(8-12-3)11-5(9)7-10-2/h1-2H3,(H,7,9)
InChIKeyMCZXPBFWXGMSKS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.21
Rot. Bonds2

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

S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxycarbamothioate (PubChem CID 59269095) has the molecular formula C5H7N3O2S2 and a molecular weight of 205.26 g/mol. Its IUPAC name is S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxycarbamothioate.

Molecular Properties

Compound NameS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxycarbamothioate
PubChem CID59269095
Molecular FormulaC5H7N3O2S2
Molecular Weight205.26 g/mol
Exact Mass205.00
IUPAC NameS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxycarbamothioate
SMILESCONC(=O)Sc1nsc(C)n1
InChIInChI=1S/C5H7N3O2S2/c1-3-6-4(8-12-3)11-5(9)7-10-2/h1-2H3,(H,7,9)
InChIKeyMCZXPBFWXGMSKS-UHFFFAOYSA-N
XLogP1.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxycarbamothioate?
The IUPAC name of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxycarbamothioate (CID 59269095) is S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxycarbamothioate.
What is the SMILES notation for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxycarbamothioate?
The canonical SMILES for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxycarbamothioate is CONC(=O)Sc1nsc(C)n1.
What is the InChIKey of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxycarbamothioate?
The InChIKey is MCZXPBFWXGMSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S2/c1-3-6-4(8-12-3)11-5(9)7-10-2/h1-2H3,(H,7,9).
What are the key properties of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxycarbamothioate?
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxycarbamothioate has a molecular weight of 205.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxycarbamothioate is sourced from PubChem (CID 59269095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).