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121876-98-0 | Thiourea, bis[(dimethylamino)methylene]-, (E,E)- (9CI)
CAS No: 121876-98-0 Catalog No: AG00166U MDL No:MFCD00173502
Product Description
Catalog Number:
AG00166U
Chemical Name:
Thiourea, bis[(dimethylamino)methylene]-, (E,E)- (9CI)
CAS Number:
121876-98-0
Molecular Formula:
C7H14N4S
Molecular Weight:
186.2779
MDL Number:
MFCD00173502
IUPAC Name:
(1E,3E)-1,3-bis(dimethylaminomethylidene)thiourea
InChI:
InChI=1S/C7H14N4S/c1-10(2)5-8-7(12)9-6-11(3)4/h5-6H,1-4H3/b8-5+,9-6+
InChI Key:
XZJKOXKEGOLKDB-XVYDYJIPSA-N
SMILES:
CN(/C=N/C(=S)/N=C/N(C)C)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
186.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.277g/mol
Monoisotopic Mass:
186.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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