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3-amino-1-(4-methylphenyl)thiourea

3-amino-1-(4-methylphenyl)thiourea

CAS: 13278-67-6

Formula: C8H11N3S

SMILES: CC1=CC=C(NC(=S)NN)C=C1

IUPAC: 3-amino-1-(4-methylphenyl)thiourea

InChI: InChI=1S/C8H11N3S/c1-6-2-4-7(5-3-6)10-8(12)11-9/h2-5H,9H2,1H3,(H2,10,11,12)

Composition: C (53.01%), H (6.12%), N (23.18%), S (17.69%)

Molar Mass: 181.26

Atom Count: 23

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 181.06736854
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 3
InChIKey IEAWRKQVDLFINI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.11
Topological Polar Surface Area 50.08
Polarizability 21.09
Ring Count 1
Rotatable Bond Count 1

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