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1-(1,3-benzoxazol-6-yl)-3-ethylthiourea

1-(1,3-benzoxazol-6-yl)-3-ethylthiourea

CAS: 860785-11-1

Formula: C10H11N3OS

SMILES: CCNC(=S)NC1=CC=C2N=COC2=C1

IUPAC: 1-(1,3-benzoxazol-6-yl)-3-ethylthiourea

InChI: InChI=1S/C10H11N3OS/c1-2-11-10(15)13-7-3-4-8-9(5-7)14-6-12-8/h3-6H,2H2,1H3,(H2,11,13,15)

Composition: C (54.28%), H (5.01%), N (18.99%), O (7.23%), S (14.49%)

Molar Mass: 221.28

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 221.06228316
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey RNLAGFDBVAGZNB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.9
Topological Polar Surface Area 50.09
Polarizability 25.07
Ring Count 2
Rotatable Bond Count 2

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