N'-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-4,5-dimethyl-3-thiophenecarbohydrazide

Update Time: 2025-04-25 16:57:08

	Common Name	N'-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-4,5-dimethyl-3-thiophenecarbohydrazide	English Name	N'-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-4,5-dimethyl-3-thiophenecarbohydrazide
	CAS NO.	N/A	Molecular Weight	336.8
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₅H₁₃ClN₂O₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N'-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-4,5-dimethyl-3-thiophenecarbohydrazide

Molecular Formula	C15H13ClN2O3S
Molecular Weight	336.8
Exact Mass	336.0335411
LogP	3.70
Standard SMILES	Cc1scc(C(=O)NN=Cc2cc3c(cc2Cl)OCO3)c1C
Canonical SMILES	CC1=C(SC=C1C(=O)NN=CC2=CC3=C(C=C2Cl)OCO3)C
Isomeric SMILES	CC1=C(SC=C1C(=O)N/N=C/C2=CC3=C(C=C2Cl)OCO3)C
Standard InChI Identifier	InChI=1S/C15H13ClN2O3S/c1-8-9(2)22-6-11(8)15(19)18-17-5-10-3-13-14(4-12(10)16)21-7-20-13/h3-6H,7H2,1-2H3,(H,18,19)/b17-5+
Standard InChI Key	CDBAPJNQLLBRRX-YAXRCOADSA-N
Compound Complexity	451.00
computational chemistry	Hydrogen Bond Acceptor Count：5 Hydrogen Bond Donor Count：1 Rotatable Bond Count：3 Heavy Atom Count：22 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：2 Monoisotopic Mass：336.0335411