2,4-dimethylphenylthiourea

2,4-dimethylphenylthiourea

CAS: 16738-20-8

Formula: C9H12N2S

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

IUPAC: (2,4-dimethylphenyl)thiourea

InChI: InChI=1S/C9H12N2S/c1-6-3-4-8(7(2)5-6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)

Composition: C (59.97%), H (6.71%), N (15.54%), S (17.78%)

Molar Mass: 180.27

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.072119568
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	2
InChIKey	KAGLPYRXTCQWHU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.67
Topological Polar Surface Area	38.05
Polarizability	21.44
Ring Count	1
Rotatable Bond Count	1

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