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4-methylbenzenesulfonylurea

4-methylbenzenesulfonylurea

CAS: 1694-06-0

Formula: C8H10N2O3S

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

IUPAC: (4-methylbenzenesulfonyl)urea

InChI: InChI=1S/C8H10N2O3S/c1-6-2-4-7(5-3-6)14(12,13)10-8(9)11/h2-5H,1H3,(H3,9,10,11)

Composition: C (44.85%), H (4.71%), N (13.08%), O (22.40%), S (14.96%)

Molar Mass: 214.24

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 214.041213364
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RUTYWCZSEBLPAK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.5
Topological Polar Surface Area 89.26
Polarizability 20.49
Ring Count 1
Rotatable Bond Count 1

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