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20039-04-7 | Diazenecarbothioamide, 2-(4-methoxyphenyl)- (9CI)
CAS No: 20039-04-7 Catalog No: AG002CQ6 MDL No:
Product Description
Catalog Number:
AG002CQ6
Chemical Name:
Diazenecarbothioamide, 2-(4-methoxyphenyl)- (9CI)
CAS Number:
20039-04-7
Molecular Formula:
C8H9N3OS
Molecular Weight:
195.2416
IUPAC Name:
(4-methoxyphenyl)iminothiourea
InChI:
InChI=1S/C8H9N3OS/c1-12-7-4-2-6(3-5-7)10-11-8(9)13/h2-5H,1H3,(H2,9,13)
InChI Key:
OIIJURMQDCBRQI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N=NC(=S)N
NSC Number:
376693
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.24g/mol
Monoisotopic Mass:
195.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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