(4S,6R)-6-Methyl-2-thioxohexahydropyrimidine-4-carboxylic acid

Base Information

Chemical Name:(4S,6R)-6-Methyl-2-thioxohexahydropyrimidine-4-carboxylic acid
CAS No.:155782-52-8
Molecular Formula:C₆H₁₀N₂O₂S
Molecular Weight:174.224
Hs Code.:
DSSTox Substance ID:DTXSID00364139
Wikidata:Q82147926
Mol file:155782-52-8.mol

Synonyms:155782-52-8;(4S,6R)-6-METHYL-2-THIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID;rac-(4S,6R)-6-methyl-2-thioxohexahydropyrimidine-4-carboxylic acid;1931958-05-2;(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinane-4-carboxylic acid;trans-6-Methyl-2-thioxohexahydropyrimidine-4-carboxylic acid;starbld0008602;DTXSID00364139;MFCD08060073;AKOS006281002;BS-40958;(4S,6R)-6-Methyl-2-sulfanylidenehexahydropyrimidine-4-carboxylic acid

Suppliers and Price of (4S,6R)-6-Methyl-2-thioxohexahydropyrimidine-4-carboxylic acid

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

TRC
rac-(4S,6R)-6-Methyl-2-thioxohexahydropyrimidine-4-carboxylicAcid
50mg
$ 60.00

American Custom Chemicals Corporation
(4S,6R)-6-METHYL-2-THIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID 95.00%
10G
$ 1363.13

American Custom Chemicals Corporation
(4S,6R)-6-METHYL-2-THIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID 95.00%
5G
$ 949.59

American Custom Chemicals Corporation
(4S,6R)-6-METHYL-2-THIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID 95.00%
1G
$ 662.16

American Custom Chemicals Corporation
(4S,6R)-6-METHYL-2-THIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID 95.00%
1MG
$ 142.80

Total 6 raw suppliers

Chemical Property of (4S,6R)-6-Methyl-2-thioxohexahydropyrimidine-4-carboxylic acid

Chemical Property:

Vapor Pressure:4.89E-05mmHg at 25°C
Boiling Point:324.7°C at 760 mmHg
Flash Point:150.2°C
PSA：93.45000
Density:1.38g/cm³
LogP:0.35350
XLogP3:0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:174.04629874
Heavy Atom Count:11
Complexity:195

Purity/Quality:

98% ^*data from raw suppliers

rac-(4S,6R)-6-Methyl-2-thioxohexahydropyrimidine-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC(NC(=S)N1)C(=O)O
Isomeric SMILES:C[C@@H]1C[C@H](NC(=S)N1)C(=O)O

Technology Process of (4S,6R)-6-Methyl-2-thioxohexahydropyrimidine-4-carboxylic acid

There total 7 articles about (4S,6R)-6-Methyl-2-thioxohexahydropyrimidine-4-carboxylic acid 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: 84.0%

: 128465-02-1
trans-6-methyl-4-cyanohexahydropyrimidine-2-thione

: 155782-52-8
trans-4-carboxy-6-methylhexahydropyrimidine-2-thione

Guidance literature:: With hydrogenchloride; for 3h; Heating;
DOI:10.1007/BF00538067

Reference yield:

: trans-4-azido-6-methylhexahydropyrimidine-2-thione

: 155782-52-8
trans-4-carboxy-6-methylhexahydropyrimidine-2-thione

Guidance literature:: Multi-step reaction with 2 steps

1: dimethylformamide / 2.2 h / Ambient temperature

2: 84 percent / conc. HCl / 3 h / Heating

With hydrogenchloride; In N,N-dimethyl-formamide;
DOI:10.1007/BF00538067

Reference yield:

: 134982-90-4
trans-6-methyl-4-(ethoxythiocarbonylthio)hexahydropyrimidine-2-thione

: 155782-52-8
trans-4-carboxy-6-methylhexahydropyrimidine-2-thione

Guidance literature:: Multi-step reaction with 2 steps

1: dimethylformamide / 2.2 h / Ambient temperature

2: 84 percent / conc. HCl / 3 h / Heating

With hydrogenchloride; In N,N-dimethyl-formamide;
DOI:10.1007/BF00538067