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101932-22-3 | Hydrazinecarbothioamide, 2-[2-[2-chloro-1-(chlorodifluoromethyl)-2,2-difluoro-1-hydroxyethyl]cyclopentylidene]-
CAS No: 101932-22-3 Catalog No: AG0005ZP MDL No:
Product Description
Catalog Number:
AG0005ZP
Chemical Name:
Hydrazinecarbothioamide, 2-[2-[2-chloro-1-(chlorodifluoromethyl)-2,2-difluoro-1-hydroxyethyl]cyclopentylidene]-
CAS Number:
101932-22-3
Molecular Formula:
C9H11Cl2F4N3OS
Molecular Weight:
356.1678
IUPAC Name:
[[2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclopentylidene]amino]thiourea
InChI:
InChI=1S/C9H11Cl2F4N3OS/c10-8(12,13)7(19,9(11,14)15)4-2-1-3-5(4)17-18-6(16)20/h4,19H,1-3H2,(H3,16,18,20)
InChI Key:
RJBNNYJHGGOJCR-UHFFFAOYSA-N
SMILES:
NC(=S)NN=C1CCCC1C(C(Cl)(F)F)(C(Cl)(F)F)O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.994g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
356.161g/mol
Monoisotopic Mass:
354.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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