Thiocyclam hydrogen oxalate

C₇H₁₃NO₄S₃CAS 31895-22-4271.36 g/mol

Open in Covalent MOL file

Carboxylic acid Disulfide Tertiary amine

Properties

Molecular formula: C₇H₁₃NO₄S₃
Molar mass: 271.36 g/mol
Exact mass: 271.0007 Da
logP: 1.12Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H312 Harmful in contact with skinAcute toxicity, dermal
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 607-170-00-0), via PubChem.

Precautionary statements

P264, P270, P273, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P391, P501

Identifiers

CAS number

31895-22-4

SMILES

CN(C)C1CSSSC1.O=C(O)C(=O)O

InChIKey

ICTQUFQQEYSGGJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H11NS3.C2H2O4/c1-6(2)5-3-7-9-8-4-5;3-1(4)2(5)6/h5H,3-4H2,1-2H3;(H,3,4)(H,5,6)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

1,2,3-Trithian-5-amine, N,N-dimethyl-, ethanedioate (1:1)
SAN 155
Evisect
SAN 155I
VEL 3883
Evisect S
Nerisect
Evisekt
Cyclate
Thiocyclam oxalate
Stamina 50
MIC Evisect

Work with Thiocyclam hydrogen oxalate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ethanedioic acid hydrate (1:2)6153-56-6Hydrate Oxalic acid144-62-7Free acid Ferric ammonium oxalate14221-47-7Salt Copper oxalate814-91-5Salt Iron(II) oxalate516-03-0Salt Silver oxalate533-51-7Salt Potassium hydrogenoxalate127-95-7Salt Tin(II) oxalate814-94-8Salt Sodium oxalate62-76-0Salt Lead(II) oxalate814-93-7Salt Barium oxalate516-02-9Salt Caesium oxalate1068-63-9Salt

Similar compounds

Cartap15263-53-343 % similar Cartap hydrochloride15263-52-239 % similar Bisultap52207-48-433 % similar Alpha-ketoisocaproic acid816-66-031 % similar Monosultap29547-00-030 % similar Bensultap17606-31-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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