Cyclopropanecarbothioamide

C4H7NSCAS 20295-34-5101.17 g/mol

Open in Covalent MOL file
SNH2

Properties

Molecular formula
C4H7NS
Molar mass
101.17 g/mol
Exact mass
101.0299 Da
logP
0.68Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
20295-34-5
SMILES
C1CC1C(=S)N
InChIKey
IIPJWNFOLPDTEQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NS/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)

Weigh it out

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

Work with Cyclopropanecarbothioamide

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-Butyl 4-carbamothioylpiperidine-1-carboxylate214834-18-140 % similar 2,2-Diethoxythioacetamide73956-15-738 % similar Cyclopropanecarboxamide6628-73-536 % similar N'-Hydroxycyclopropanecarboximidamide51285-13-332 % similar Cyclopropanecarboximidamide hydrochloride57297-29-732 % similar tert-Butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate101410-18-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopropyl isothiocyanate2253-73-8 2-Methyl-2-thiazoline2346-00-1 Isopropyl thiocyanate625-59-2 Propyl isothiocyanate628-30-8

Elsewhere

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