3-amino-1-[(3,4-dichlorophenyl)methyl]thiourea

3-amino-1-[(3,4-dichlorophenyl)methyl]thiourea

CAS: 206559-55-9

Formula: C8H9Cl2N3S

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

IUPAC: 3-amino-1-[(3,4-dichlorophenyl)methyl]thiourea

InChI: InChI=1S/C8H9Cl2N3S/c9-6-2-1-5(3-7(6)10)4-12-8(14)13-11/h1-3H,4,11H2,(H2,12,13,14)

Composition: C (38.41%), H (3.63%), Cl (28.34%), N (16.80%), S (12.82%)

Molar Mass: 250.14

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.9894239
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	3
InChIKey	MVZAMZJSSMCETJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.74
Topological Polar Surface Area	50.08
Polarizability	24.94
Ring Count	1
Rotatable Bond Count	2

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