Tetrahydropyrimidine-2-thione

C₄H₈N₂SCAS 2055-46-1116.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₈N₂S
Molar mass: 116.18 g/mol
Exact mass: 116.0408 Da
Melting point: 210–212 °C
logP: 0.27Crippen estimate
Polar surface area: 24.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

2055-46-1

SMILES

SC1=NCCCN1

InChIKey

NVHNGVXBCWYLFA-UHFFFAOYSA-N

InChI

InChI=1S/C4H8N2S/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)

Weigh it out

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

Names and synonyms

18 names · show all

2(1H)-Pyrimidinethione, tetrahydro-
Tetrahydro-2(1H)-pyrimidinethione
Cyclic propylene thiourea
N,N′-Trimethylenethiourea
Thiourea, N,N′-1,3-propanediyl-
Hexahydropyrimidine-2-thione
2-Mercaptotetrahydropyrimidine
1,4,5,6-Tetrahydro-2-pyrimidinethiol
3,4,5,6-Tetrahydro-2-pyrimidinethiol
2-Mercapto-3,4,5,6-tetrahydropyrimidine
2-Mercapto-1,4,5,6-tetrahydropyrimidine
Perhydropyrimidine-2-thione
3,4,5,6-Tetrahydro-2(1H)-pyrimidinethione
1,3-Diazinane-2-thione
NSC 21316
3,4,5,6-Tetrahydro-1H-pyrimidine-2-thione
Trimethylenethiourea
3,4,5,6-Tetrahydro-2-mercaptopyrimidine

Work with Tetrahydropyrimidine-2-thione

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

Ethylene thiourea96-45-771 % similar N,N'-Di-N-butylthiourea109-46-669 % similar Tetrahydro-2(1H)-pyrimidinone1852-17-148 % similar N,N′-Diethylthiourea105-55-543 % similar N-Butylhydrazinecarbothioamide6610-31-742 % similar 1-Allyl-3-(2-hydroxyethyl)-2-thiourea105-81-738 % similar Triazabicyclodecene5807-14-737 % similar Dibutylurea1792-17-234 % similar

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

Same formula

Allylthiourea109-57-9 Methylethylenethiourea13431-10-2

Elsewhere

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