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CAS 106649-95-0
Also known as: 106492-70-0, N-sulphamyl-3-chloropropioamidine, 3-chloro-n'-sulfamoylpropanimidamide, Schembl17726960, Akos006294949, Akos024367245
Molecular Formula
C3H8ClN3O2S
Molecular Weight
185.63  g/mol
InChI Key
QZFCNUHDVLMXDA-UHFFFAOYSA-N

1 2D Structure

CAS 106649-95-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-chloro-N'-sulfamoylpropanimidamide
2.1.2 InChI
InChI=1S/C3H8ClN3O2S/c4-2-1-3(5)7-10(6,8)9/h1-2H2,(H2,5,7)(H2,6,8,9)
2.1.3 InChI Key
QZFCNUHDVLMXDA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CCl)C(=NS(=O)(=O)N)N
2.1.5 Isomeric SMILES
C(CCl)/C(=N/S(=O)(=O)N)/N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 106492-70-0

2. N-sulphamyl-3-chloropropioamidine

3. 3-chloro-n'-sulfamoylpropanimidamide

4. Schembl17726960

5. Akos006294949

6. Akos024367245

7. 92c700

8. A911256

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 185.63 g/mol
Molecular Formula C3H8ClN3O2S
XLogP3-1.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass185.0025754 g/mol
Monoisotopic Mass185.0025754 g/mol
Topological Polar Surface Area107 Ų
Heavy Atom Count10
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Riddhi Pharma was set up in 1997 as a Manufacturer of API’s Intermediates and Fine Chemicals, especiall...
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