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838827-71-7 | Hydrazinecarbothioamide, 2-[cyclohexyl(3,4-dichlorophenyl)methylene]-
CAS No: 838827-71-7 Catalog No: AG00544S MDL No:
Product Description
Catalog Number:
AG00544S
Chemical Name:
Hydrazinecarbothioamide, 2-[cyclohexyl(3,4-dichlorophenyl)methylene]-
CAS Number:
838827-71-7
Molecular Formula:
C14H17Cl2N3S
Molecular Weight:
330.2759
IUPAC Name:
[[cyclohexyl-(3,4-dichlorophenyl)methylidene]amino]thiourea
InChI:
InChI=1S/C14H17Cl2N3S/c15-11-7-6-10(8-12(11)16)13(18-19-14(17)20)9-4-2-1-3-5-9/h6-9H,1-5H2,(H3,17,19,20)
InChI Key:
HWVNPMGPQVXXSC-UHFFFAOYSA-N
SMILES:
NC(=S)NN=C(c1ccc(c(c1)Cl)Cl)C1CCCCC1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.271g/mol
Monoisotopic Mass:
329.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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