N-(1,1-Dimethylethyl)thiourea

C₅H₁₂N₂SCAS 7204-48-0132.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₂N₂S
Molar mass: 132.22 g/mol
Exact mass: 132.0721 Da
Melting point: 171–172 °C (decomposes)
logP: 1.24Crippen estimate
Polar surface area: 35.9 Å²
H-bond donors / acceptors: 3 / 1
Rotatable bonds: 0

Identifiers

CAS number

7204-48-0

SMILES

CC(C)(C)NC(=N)S

InChIKey

RYOCWONLFFPYMN-UHFFFAOYSA-N

InChI

InChI=1S/C5H12N2S/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)

Weigh it out

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

Names and synonyms

7 names

Thiourea, N-(1,1-dimethylethyl)-
Urea, 1-tert-butyl-2-thio-
Thiourea, (1,1-dimethylethyl)-
1-tert-Butylthiourea
1-tert-Butyl-2-thiourea
N-tert-Butylthiourea
tert-Butylthiourea

Work with N-(1,1-Dimethylethyl)thiourea

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

tert-Butylurea1118-12-344 % similar Methylthiourea598-52-743 % similar Dithiourea142-46-143 % similar Dithiobiuret541-53-743 % similar N-(1-Methylethyl)thiourea1719-76-240 % similar N,N′-Bis(1,1-dimethylethyl)thiourea4041-95-639 % similar Ethylthiourea625-53-638 % similar Thiosemicarbazide79-19-638 % similar

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

Same formula

N,N′-Diethylthiourea105-55-5 N-Butylthiourea1516-32-1 Tetramethylthiourea2782-91-4

Elsewhere

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