methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate

C9H12N2O3S2 — CID 63580305

IUPACmethyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate
SMILESCOC(=O)CSCc1ccc(C(=O)NN)s1
InChIInChI=1S/C9H12N2O3S2/c1-14-8(12)5-15-4-6-2-3-7(16-6)9(13)11-10/h2-3H,4-5,10H2,1H3,(H,11,13)
InChIKeyXCJJXSAZXZAVLN-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.76
Rot. Bonds5

About methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate

methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate (PubChem CID 63580305) has the molecular formula C9H12N2O3S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate
PubChem CID63580305
Molecular FormulaC9H12N2O3S2
Molecular Weight260.34 g/mol
Exact Mass260.03
IUPAC Namemethyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate
SMILESCOC(=O)CSCc1ccc(C(=O)NN)s1
InChIInChI=1S/C9H12N2O3S2/c1-14-8(12)5-15-4-6-2-3-7(16-6)9(13)11-10/h2-3H,4-5,10H2,1H3,(H,11,13)
InChIKeyXCJJXSAZXZAVLN-UHFFFAOYSA-N
XLogP0.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63855802
5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 66216952
5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 55212321
5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63582493
5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63580775
methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate
CID 79774327
5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63580407
5-[(4-methylsulfonylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63590993
methyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate
CID 63582327
5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 79147042
5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide
CID 63575070
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
CID 60701138

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate?
The IUPAC name of methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate (CID 63580305) is methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate.
What is the SMILES notation for methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate?
The canonical SMILES for methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate is COC(=O)CSCc1ccc(C(=O)NN)s1.
What is the InChIKey of methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate?
The InChIKey is XCJJXSAZXZAVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S2/c1-14-8(12)5-15-4-6-2-3-7(16-6)9(13)11-10/h2-3H,4-5,10H2,1H3,(H,11,13).
What are the key properties of methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate?
methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate has a molecular weight of 260.34 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate is sourced from PubChem (CID 63580305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).