5-(N,N-Dimethylaminosulfonyl)-1,3,4-thiadiazol-2-yl isocyanate

HCID 12894454

Notes Reactions

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Basic information

Standard SMILES: CN(C)S(=O)(=O)c1nnc(N=C=O)s1
InChIKey: PRWSDDBORVBNBP-UHFFFAOYSA-N
Molecular formula: C5H6N4O3S2
Average molar mass: 234.3 g/mol

Names & identifiers

Preferred name: 5-(N,N-Dimethylaminosulfonyl)-1,3,4-thiadiazol-2-yl isocyanate
IUPAC: 5-isocyanato-N,N-dimethyl-1,3,4-thiadiazole-2-sulfonamide

Names & synonyms

PRWSDDBORVBNBP-UHFFFAOYSA-N5-(N,N-Dimethylaminosulfonyl)-1,3,4-thiadiazol-2-yl isocynate5-(N,N-Dimethylaminosulfonyl)-1,3,4-thiadiazol-2-yl isocyanate

Database identifiers

PubChem CID: 12894454

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 129 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 342

Related reactions

7 records

New reaction record

HRID 127129As reactantuspto-grants-1981_03

HRID 127135As reactantuspto-grants-1981_03

HRID 127136As reactantuspto-grants-1981_03

HRID 127137As reactantuspto-grants-1981_03

HRID 179731As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 312112As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1146128As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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