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(4-chlorophenyl)methylthiourea

(4-chlorophenyl)methylthiourea

CAS: 24827-37-0

Formula: C8H9ClN2S

SMILES: NC(=S)NCC1=CC=C(Cl)C=C1

IUPAC: [(4-chlorophenyl)methyl]thiourea

InChI: InChI=1S/C8H9ClN2S/c9-7-3-1-6(2-4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12)

Composition: C (47.88%), H (4.52%), Cl (17.66%), N (13.96%), S (15.98%)

Molar Mass: 200.68

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 200.0174972
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 2
InChIKey CRHPDONOCLCOOR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.45
Topological Polar Surface Area 38.05
Polarizability 21.59
Ring Count 1
Rotatable Bond Count 2

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