chempirical

Pseudothiohydantoin

C3H4N2OSCAS 556-90-1116.14 g/mol

Open in Covalent MOL file
HNHNOS
Sulfide

Properties

Molecular formula
C3H4N2OS
Molar mass
116.14 g/mol
Exact mass
116.0044 Da
Density
1.64 g/mL
Melting point
above 200 °C
logP
0.62Crippen estimate
Polar surface area
56.4 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
556-90-1
SMILES
N=C1N=C(O)CS1
InChIKey
HYMJHROUVPWYNQ-UHFFFAOYSA-N
InChI
InChI=1S/C3H4N2OS/c4-3-5-2(6)1-7-3/h1H2,(H2,4,5,6)

Weigh it out

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

Names and synonyms

15 names · show all
  • 4(5H)-Thiazolone, 2-amino-
  • 4-Thiazolidinone, 2-imino-
  • 2-Thiazolin-4-one, 2-amino-
  • 2-Amino-4(5H)-thiazolone
  • 2-Imino-4-thiazolidinone
  • 2-Imino-4-thiazolidone
  • 2-Amino-2-thiazolin-4-one
  • 2-Amino-4-oxothiazoline
  • NSC 2858
  • NSC 45956
  • Pseudohydantoin
  • 2-Amino-4,5-dihydrothiazol-4-one
  • 2-Amino-thiazol-4-one
  • 2-Amino-4,5-dihydro-1,3-thiazol-4-one
  • 2-Amino-1,3-thiazol-4-one

Reactions

Work with Pseudothiohydantoin

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

Similar compounds

Rhodanine141-84-448 % similar Thiazolidinedione2295-31-048 % similar Creatinine60-27-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Thiohydantoin503-87-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook