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3-(2-chloroethyl)-1-[4-(methylsulfanyl)phenyl]urea

3-(2-chloroethyl)-1-[4-(methylsulfanyl)phenyl]urea

CAS: 13908-50-4

Formula: C10H13ClN2OS

SMILES: CSC1=CC=C(NC(=O)NCCCl)C=C1

IUPAC: 3-(2-chloroethyl)-1-[4-(methylsulfanyl)phenyl]urea

InChI: InChI=1S/C10H13ClN2OS/c1-15-9-4-2-8(3-5-9)13-10(14)12-7-6-11/h2-5H,6-7H2,1H3,(H2,12,13,14)

Composition: C (49.08%), H (5.35%), Cl (14.48%), N (11.45%), O (6.54%), S (13.10%)

Molar Mass: 244.74

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 244.0437119
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey WUXUKJIIFCCPFH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.6
Topological Polar Surface Area 41.13
Polarizability 24.9
Ring Count 1
Rotatable Bond Count 4

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