CAS 73771-08-1 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 73771-08-1, 4-nitro-n-trichloromethylthiophthalimide, Dtxsid10224139
Molecular Formula
C9H3Cl3N2O4S
Molecular Weight
341.6  g/mol
InChI Key
RCPLHWOKWNLFBE-UHFFFAOYSA-N

CAS 73771-08-1
1 2D Structure

CAS 73771-08-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-nitro-2-(trichloromethylsulfanyl)isoindole-1,3-dione
2.1.2 InChI
InChI=1S/C9H3Cl3N2O4S/c10-9(11,12)19-13-7(15)4-2-1-3-5(14(17)18)6(4)8(13)16/h1-3H
2.1.3 InChI Key
RCPLHWOKWNLFBE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)SC(Cl)(Cl)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 73771-08-1

2. 4-nitro-n-trichloromethylthiophthalimide

3. Dtxsid10224139

2.3 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 341.6 g/mol
Molecular Formula C9H3Cl3N2O4S
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area109
Heavy Atom Count19
Formal Charge0
Complexity436
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty