Biotin hydrazide

C10H18N4O2SCAS 66640-86-6258.34 g/mol

Open in Covalent MOL file
H2NNHOSNHOHN
HydrazonePrimary amineSulfide

Properties

Molecular formula
C10H18N4O2S
Molar mass
258.34 g/mol
Exact mass
258.1150 Da
logP
0.75Crippen estimate
Polar surface area
103.2 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
5
Stereocentres
S, R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
66640-86-6
SMILES
NN=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21
InChIKey
KOZWHQPRAOJMBN-ZKWXMUAHSA-N
InChI
InChI=1S/C10H18N4O2S/c11-14-8(15)4-2-1-3-7-9-6(5-17-7)12-10(16)13-9/h6-7,9H,1-5,11H2,(H,14,15)(H2,12,13,16)/t6-,7-,9-/m0/s1

Weigh it out

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

Names and synonyms

2 names
  • 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, hydrazide, (3aS,4S,6aR)-
  • 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, hydrazide, [3aS-(3aα,4β,6aα)]-

Work with Biotin hydrazide

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

Biotinamidocaproyl hydrazide109276-34-885 % similar Biotin22879-79-466 % similar Biotin58-85-566 % similar Biotin-PEG1-NH2811442-85-064 % similar 6-[5-(2-Oxo-hexahydro-thieno[3,4-D]imidazol-4-yl)-pentanoylamino]-hexanoic acid72040-64-363 % similar Biotin peg2 amine138529-46-163 % similar Biocytin576-19-261 % similar Biotin N-hydroxysuccinimide ester35013-72-057 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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