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19958-76-0 | Thiourea, N,N-diethyl-N'-2-thiazolyl-
CAS No: 19958-76-0 Catalog No: AG002C75 MDL No:
Product Description
Catalog Number:
AG002C75
Chemical Name:
Thiourea, N,N-diethyl-N'-2-thiazolyl-
CAS Number:
19958-76-0
Molecular Formula:
C8H13N3S2
Molecular Weight:
215.3389
IUPAC Name:
1,1-diethyl-3-(1,3-thiazol-2-yl)thiourea
InChI:
InChI=1S/C8H13N3S2/c1-3-11(4-2)8(12)10-7-9-5-6-13-7/h5-6H,3-4H2,1-2H3,(H,9,10,12)
InChI Key:
VQTRGMDNNYNBNG-UHFFFAOYSA-N
SMILES:
CCN(C(=S)Nc1nccs1)CC
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.333g/mol
Monoisotopic Mass:
215.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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