[(E)-[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylideneamino]thiourea

Update Time: 2025-04-25 16:57:07

	Common Name	[(E)-[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylideneamino]thiourea	English Name	[(E)-[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylideneamino]thiourea
	CAS NO.	N/A	Molecular Weight	269.32
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₁H₁₅N₃O₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	[(E)-[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylideneamino]thiourea

Molecular Formula	C11H15N3O3S
Molecular Weight	269.32
Exact Mass	269.08341252
LogP	0.50
Standard SMILES	COc1cc(C=NNC(N)=S)ccc1OCCO
Canonical SMILES	COC1=C(C=CC(=C1)C=NNC(=S)N)OCCO
Isomeric SMILES	COC1=C(C=CC(=C1)/C=N/NC(=S)N)OCCO
Standard InChI Identifier	InChI=1S/C11H15N3O3S/c1-16-10-6-8(7-13-14-11(12)18)2-3-9(10)17-5-4-15/h2-3,6-7,15H,4-5H2,1H3,(H3,12,14,18)/b13-7+
Standard InChI Key	IIYVJWUOHWSCEG-NTUHNPAUSA-N
Compound Complexity	289.00
computational chemistry	Hydrogen Bond Acceptor Count：5 Hydrogen Bond Donor Count：3 Rotatable Bond Count：6 Heavy Atom Count：18 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 Total Chiral Bond Count：1 Defined Chiral Bond Count：1 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：3 Monoisotopic Mass：269.08341252