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70262-81-6 | Benzenecarbothioamide, 4-chloro-N-ethyl-
CAS No: 70262-81-6 Catalog No: AG005KFK MDL No:
Product Description
Catalog Number:
AG005KFK
Chemical Name:
Benzenecarbothioamide, 4-chloro-N-ethyl-
CAS Number:
70262-81-6
Molecular Formula:
C9H10ClNS
Molecular Weight:
199.7004
IUPAC Name:
4-chloro-N-ethylbenzenecarbothioamide
InChI:
InChI=1S/C9H10ClNS/c1-2-11-9(12)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3,(H,11,12)
InChI Key:
CZUHGLIBZVWVBG-UHFFFAOYSA-N
SMILES:
CCNC(=S)c1ccc(cc1)Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.696g/mol
Monoisotopic Mass:
199.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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