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3-amino-1-(3,4,5-trimethoxyphenyl)thiourea

3-amino-1-(3,4,5-trimethoxyphenyl)thiourea

CAS: 206762-46-1

Formula: C10H15N3O3S

SMILES: COC1=CC(NC(=S)NN)=CC(OC)=C1OC

IUPAC: 3-amino-1-(3,4,5-trimethoxyphenyl)thiourea

InChI: InChI=1S/C10H15N3O3S/c1-14-7-4-6(12-10(17)13-11)5-8(15-2)9(7)16-3/h4-5H,11H2,1-3H3,(H2,12,13,17)

Composition: C (46.68%), H (5.88%), N (16.33%), O (18.65%), S (12.46%)

Molar Mass: 257.31

Atom Count: 32

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 257.083412529
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey XNRLYRGZEKWEMJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.46
Topological Polar Surface Area 77.77
Polarizability 26.88
Ring Count 1
Rotatable Bond Count 4

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