2-bromo-4-methylphenylthiourea

2-bromo-4-methylphenylthiourea

CAS: 66644-79-9

Formula: C8H9BrN2S

SMILES: CC1=CC(Br)=C(NC(N)=S)C=C1

IUPAC: (2-bromo-4-methylphenyl)thiourea

InChI: InChI=1S/C8H9BrN2S/c1-5-2-3-7(6(9)4-5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)

Composition: C (39.20%), H (3.70%), Br (32.60%), N (11.43%), S (13.08%)

Molar Mass: 245.14

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.966982
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	2
InChIKey	QBTARKBNALVKLA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.25
Topological Polar Surface Area	38.05
Polarizability	22.38
Ring Count	1
Rotatable Bond Count	1

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