3-Butyl-4,5-dimethyl-4-hydroxyhexahydropyrimidin-2-thione

Base Information

• Chemical Name: 3-Butyl-4,5-dimethyl-4-hydroxyhexahydropyrimidin-2-thione
• CAS No.: 88070-31-9
• Molecular Formula: C10H20 N2 O S
• Molecular Weight: 216.34
• DSSTox Substance ID: DTXSID40418605
• Mol file: 88070-31-9.mol

Synonyms:3-Butyl-4,5-dimethyl-4-hydroxyhexahydropyrimidin-2-thione;88070-31-9;DTXSID40418605;AGZVCZSPSFKNDD-UHFFFAOYSA-N;1-Butyl-6-hydroxy-5,6-dimethyltetrahydro-2(1H)-pyrimidinethione #

Chemical Property of 3-Butyl-4,5-dimethyl-4-hydroxyhexahydropyrimidin-2-thione

Chemical Property:

• PSA: 74.63000
• LogP: 1.10600
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 216.12963444
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C(=S)NCC(C1(C)O)C