4-isothiocyanato-1,2-dimethoxybenzene

4-isothiocyanato-1,2-dimethoxybenzene

CAS: 33904-04-0

Formula: C9H9NO2S

SMILES: COC1=CC=C(C=C1OC)N=C=S

IUPAC: 4-isothiocyanato-1,2-dimethoxybenzene

InChI: InChI=1S/C9H9NO2S/c1-11-8-4-3-7(10-6-13)5-9(8)12-2/h3-5H,1-2H3

Composition: C (55.37%), H (4.65%), N (7.17%), O (16.39%), S (16.42%)

Molar Mass: 195.24

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	195.035399708
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LHPZZVZPOZPDDB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.05
Topological Polar Surface Area	30.82
Polarizability	21.06
Ring Count	1
Rotatable Bond Count	3

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