Home Other Building Blocks 2-(dodecylsulfanyl)-1,4,5,6-tetrahydropyrimidine hydrochloride

2-(dodecylsulfanyl)-1,4,5,6-tetrahydropyrimidine hydrochloride

CAS No.:
2438-97-3
Catalog Number:
AG01AGD9
Molecular Formula:
C16H33ClN2S
Molecular Weight:
320.9646
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Product Description
Catalog Number:
AG01AGD9
Chemical Name:
2-(dodecylsulfanyl)-1,4,5,6-tetrahydropyrimidine hydrochloride
CAS Number:
2438-97-3
Molecular Formula:
C16H33ClN2S
Molecular Weight:
320.9646
MDL Number:
MFCD27980710
IUPAC Name:
2-dodecylsulfanyl-1,4,5,6-tetrahydropyrimidine;hydrochloride
InChI:
InChI=1S/C16H32N2S.ClH/c1-2-3-4-5-6-7-8-9-10-11-15-19-16-17-13-12-14-18-16;/h2-15H2,1H3,(H,17,18);1H
InChI Key:
ZVGZFMNBPKCHBG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSC1=NCCCN1.Cl
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.205g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
320.964g/mol
Monoisotopic Mass:
320.205g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties