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136389-69-0 | {[(dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}methanimidamide hydrochloride
CAS No: 136389-69-0 Catalog No: AG019VGW MDL No:MFCD12197168
Product Description
Catalog Number:
AG019VGW
Chemical Name:
{[(dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}methanimidamide hydrochloride
CAS Number:
136389-69-0
Molecular Formula:
C7H12ClN3OS
Molecular Weight:
221.7077
MDL Number:
MFCD12197168
IUPAC Name:
(3,5-dimethyl-1,2-oxazol-4-yl)methyl carbamimidothioate;hydrochloride
InChI:
InChI=1S/C7H11N3OS.ClH/c1-4-6(3-12-7(8)9)5(2)11-10-4;/h3H2,1-2H3,(H3,8,9);1H
InChI Key:
HVRLCQPOXGURJT-UHFFFAOYSA-N
SMILES:
NC(=N)SCc1c(C)noc1C.Cl
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.039g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.703g/mol
Monoisotopic Mass:
221.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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