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1087448-66-5 | N-Cyclopropyl-2-mercapto-1,3-benzothiazole-5-carboxamide
CAS No: 1087448-66-5 Catalog No: AG00HB8B MDL No:MFCD11844612
Product Description
Catalog Number:
AG00HB8B
Chemical Name:
N-Cyclopropyl-2-mercapto-1,3-benzothiazole-5-carboxamide
CAS Number:
1087448-66-5
Molecular Formula:
C11H10N2OS2
Molecular Weight:
250.3399
MDL Number:
MFCD11844612
IUPAC Name:
N-cyclopropyl-2-sulfanylidene-3H-1,3-benzothiazole-5-carboxamide
InChI:
InChI=1S/C11H10N2OS2/c14-10(12-7-2-3-7)6-1-4-9-8(5-6)13-11(15)16-9/h1,4-5,7H,2-3H2,(H,12,14)(H,13,15)
InChI Key:
ZSWYOJZQOZFCRX-UHFFFAOYSA-N
SMILES:
Sc1sc2c(n1)cc(cc2)C(=O)NC1CC1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.334g/mol
Monoisotopic Mass:
250.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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