ethane;(2E)-2-[[5-(3-methylsulfinylphenyl)thiophen-2-yl]methylhydrazinylidene]propanoyl chloride

C17H21ClN2O2S2 — CID 143385767

IUPACethane;(2E)-2-[[5-(3-methylsulfinylphenyl)thiophen-2-yl]methylhydrazinylidene]propanoyl chloride
SMILESC/C(=N\NCc1ccc(-c2cccc(S(C)=O)c2)s1)C(=O)Cl.CC
InChIInChI=1S/C15H15ClN2O2S2.C2H6/c1-10(15(16)19)18-17-9-12-6-7-14(21-12)11-4-3-5-13(8-11)22(2)20;1-2/h3-8,17H,9H2,1-2H3;1-2H3/b18-10+;
InChIKeySDJMNPQQKPPJTJ-DYMYMWKRSA-N
MW384.95 g/mol
LogP4.41
Rot. Bonds6

About ethane;(2E)-2-[[5-(3-methylsulfinylphenyl)thiophen-2-yl]methylhydrazinylidene]propanoyl chloride

ethane;(2E)-2-[[5-(3-methylsulfinylphenyl)thiophen-2-yl]methylhydrazinylidene]propanoyl chloride (PubChem CID 143385767) has the molecular formula C17H21ClN2O2S2 and a molecular weight of 384.95 g/mol. Its IUPAC name is ethane;(2E)-2-[[5-(3-methylsulfinylphenyl)thiophen-2-yl]methylhydrazinylidene]propanoyl chloride.

Molecular Properties

Compound Nameethane;(2E)-2-[[5-(3-methylsulfinylphenyl)thiophen-2-yl]methylhydrazinylidene]propanoyl chloride
PubChem CID143385767
Molecular FormulaC17H21ClN2O2S2
Molecular Weight384.95 g/mol
Exact Mass384.07
IUPAC Nameethane;(2E)-2-[[5-(3-methylsulfinylphenyl)thiophen-2-yl]methylhydrazinylidene]propanoyl chloride
SMILESC/C(=N\NCc1ccc(-c2cccc(S(C)=O)c2)s1)C(=O)Cl.CC
InChIInChI=1S/C15H15ClN2O2S2.C2H6/c1-10(15(16)19)18-17-9-12-6-7-14(21-12)11-4-3-5-13(8-11)22(2)20;1-2/h3-8,17H,9H2,1-2H3;1-2H3/b18-10+;
InChIKeySDJMNPQQKPPJTJ-DYMYMWKRSA-N
XLogP4.41
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[5-(ethylaminomethyl)thiophen-2-yl]benzoic acid
CID 84756409
4-[[5-(3-chlorophenyl)thiophen-2-yl]methylamino]-2,2-dimethylbutanoic acid
CID 122126863
2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane
CID 142536310
N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287254
2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide
CID 61220745
N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
2-[[[5-(3-chlorophenyl)thiophen-2-yl]methylamino]methyl]-2-ethylbutanoic acid
CID 122129148
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43434173
1-(2,5-dichlorophenyl)-5-[5-(3-methylsulfinylphenyl)thiophen-2-yl]pyrazole
CID 68655573
1-[5-(3-iodophenyl)thiophen-2-yl]-N-methylmethanamine
CID 43287325
1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine
CID 43275238
1-[(E)-1-chlorobut-2-en-2-yl]-5-[5-(3-methylsulfinylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 143385526

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-[[5-(3-methylsulfinylphenyl)thiophen-2-yl]methylhydrazinylidene]propanoyl chloride?
The IUPAC name of ethane;(2E)-2-[[5-(3-methylsulfinylphenyl)thiophen-2-yl]methylhydrazinylidene]propanoyl chloride (CID 143385767) is ethane;(2E)-2-[[5-(3-methylsulfinylphenyl)thiophen-2-yl]methylhydrazinylidene]propanoyl chloride.
What is the SMILES notation for ethane;(2E)-2-[[5-(3-methylsulfinylphenyl)thiophen-2-yl]methylhydrazinylidene]propanoyl chloride?
The canonical SMILES for ethane;(2E)-2-[[5-(3-methylsulfinylphenyl)thiophen-2-yl]methylhydrazinylidene]propanoyl chloride is C/C(=N\NCc1ccc(-c2cccc(S(C)=O)c2)s1)C(=O)Cl.CC.
What is the InChIKey of ethane;(2E)-2-[[5-(3-methylsulfinylphenyl)thiophen-2-yl]methylhydrazinylidene]propanoyl chloride?
The InChIKey is SDJMNPQQKPPJTJ-DYMYMWKRSA-N. The full InChI is InChI=1S/C15H15ClN2O2S2.C2H6/c1-10(15(16)19)18-17-9-12-6-7-14(21-12)11-4-3-5-13(8-11)22(2)20;1-2/h3-8,17H,9H2,1-2H3;1-2H3/b18-10+;.
What are the key properties of ethane;(2E)-2-[[5-(3-methylsulfinylphenyl)thiophen-2-yl]methylhydrazinylidene]propanoyl chloride?
ethane;(2E)-2-[[5-(3-methylsulfinylphenyl)thiophen-2-yl]methylhydrazinylidene]propanoyl chloride has a molecular weight of 384.95 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-[[5-(3-methylsulfinylphenyl)thiophen-2-yl]methylhydrazinylidene]propanoyl chloride is sourced from PubChem (CID 143385767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).