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1-[(E)-[(3,5-dichloro-4-hydroxyphenyl)methylidene]amino]-3-(prop-2-en-1-yl)thiourea

1-[(E)-[(3,5-dichloro-4-hydroxyphenyl)methylidene]amino]-3-(prop-2-en-1-yl)thiourea

Formula: C11H11Cl2N3OS

SMILES: OC1=C(Cl)C=C(C=NNC(=S)NCC=C)C=C1Cl

IUPAC: 1-[(E)-[(3,5-dichloro-4-hydroxyphenyl)methylidene]amino]-3-(prop-2-en-1-yl)thiourea

InChI: InChI=1S/C11H11Cl2N3OS/c1-2-3-14-11(18)16-15-6-7-4-8(12)10(17)9(13)5-7/h2,4-6,17H,1,3H2,(H2,14,16,18)/b15-6+

Composition: C (43.43%), H (3.65%), Cl (23.31%), N (13.81%), O (5.26%), S (10.54%)

Molar Mass: 304.19

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 302.9999886
Formal Charge 0
FSP3 0.09
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 3
InChIKey KETFSPZZZXUMQB-GIDUJCDVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.88
Topological Polar Surface Area 56.65
Polarizability 30.13
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H11Cl2N3OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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