6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester

HCID 331997

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Basic information

CAS: 449175-99-9
Standard SMILES: CCOC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1
InChIKey: YLZSORUEQQIHOV-UHFFFAOYSA-N
Molecular formula: C10H9N3O4S
Average molar mass: 267.26 g/mol

Names & identifiers

Preferred name: 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester
IUPAC: ethyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate

Names & synonyms

NSC-327381NSC327381RTM28ZHA4AOprea1_268814CHEMBL2297718SCHEMBL11161571YLZSORUEQQIHOV-UHFFFAOYSA-NAKOS002955243Ethyl N-(6-nitro-2-benzothiazolyl)carbamate6-nitro-benzothiazol-2-yl-carbamic acid ethyl esterCarbamic acid, N-(6-nitro-2-benzothiazolyl)-, ethyl ester449175-99-9

Database identifiers

CAS: 449175-99-9
PubChem CID: 331997
ChEMBL: CHEMBL2297718
UNII: RTM28ZHA4A

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 125 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 336

Related reactions

1 records

New reaction record

HRID 1164403As reactantuspto-grants-1983_01

Compound notes

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