2,3-dimethylphenylthiourea

2,3-dimethylphenylthiourea

CAS: 55752-58-4

Formula: C9H12N2S

SMILES: CC1=CC=CC(NC(N)=S)=C1C

IUPAC: (2,3-dimethylphenyl)thiourea

InChI: InChI=1S/C9H12N2S/c1-6-4-3-5-8(7(6)2)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	VDTKXIMDQWHJSA-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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