3,4,5,6-Tetrahydro-2-pyrimidinethiol

Base Information

Chemical Name:3,4,5,6-Tetrahydro-2-pyrimidinethiol
CAS No.:2055-46-1
Deprecated CAS:29228-86-2,63529-34-0,63529-34-0
Molecular Formula:C4H8 N2 S
Molecular Weight:116.187
Hs Code.:29335990
European Community (EC) Number:218-152-3
NSC Number:21316
UNII:V3BTD5L7BN
DSSTox Substance ID:DTXSID3062156
Nikkaji Number:J39.646J
Wikidata:Q81976949
ChEMBL ID:CHEMBL11938
Mol file:2055-46-1.mol

Synonyms:propylenethiourea

Suppliers and Price of 3,4,5,6-Tetrahydro-2-pyrimidinethiol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

SynQuest Laboratories
Tetrahydropyrimidine-2(1H)-thione
100 g
$ 173.00

Sigma-Aldrich
3,4,5,6-Tetrahydro-2-pyrimidinethiol ≥99%
100g
$ 131.00

Sigma-Aldrich
Propylene thiourea PESTANAL?, analytical standard
25 mg
$ 112.00

Sigma-Aldrich
3,4,5,6-Tetrahydro-2-pyrimidinethiol ≥99%
5g
$ 35.30

Oakwood
2-(1H)-Tetrahydropyrimidinethione 98%
5g
$ 16.00

Oakwood
2-(1H)-Tetrahydropyrimidinethione 98%
1g
$ 10.00

Oakwood
2-(1H)-Tetrahydropyrimidinethione 98%
25g
$ 37.00

Matrix Scientific
2-(1H)-Tetrahydropyrimidinethione
25g
$ 37.00

Matrix Scientific
2-(1H)-Tetrahydropyrimidinethione
5g
$ 17.00

Matrix Scientific
2-(1H)-Tetrahydropyrimidinethione
1g
$ 10.00

Total 34 raw suppliers

Chemical Property of 3,4,5,6-Tetrahydro-2-pyrimidinethiol

Chemical Property:

Appearance/Colour:WHITE POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS
Vapor Pressure:1.38mmHg at 25°C
Melting Point:210-212 °C(lit.)
Refractive Index:1.5000 (estimate)
Boiling Point:171.6 °C at 760 mmHg
PKA:14.98±0.20(Predicted)
Flash Point:57.6 °C
PSA：56.15000
Density:1.2 g/cm3
LogP:0.51180
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:116.04081944
Heavy Atom Count:7
Complexity:73.8

Purity/Quality:

97% ^*data from raw suppliers

Tetrahydropyrimidine-2(1H)-thione ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNC(=S)NC1
Uses Tetrahydropyrimidine-2(1H)-thione is a reactant in the preparation of aryl substituted heterocycles.

Technology Process of 3,4,5,6-Tetrahydro-2-pyrimidinethiol

There total 17 articles about 3,4,5,6-Tetrahydro-2-pyrimidinethiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

: 75-15-0,12122-00-8
carbon disulfide

: 109-76-2,54018-94-9
Trimethylenediamine

: 2055-46-1
3,4,5,6-tetrahydropyrimidine-2-thione

Guidance literature:: With choline chloride–urea; In water; at 100 ℃; for 5h; Cooling with ice; Green chemistry;
DOI:10.1080/17415993.2018.1533014