Carbazochrome Impurity 5

CAT: 1299-RM-C013105-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C013105-01Size:10 mg

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CAS Number

1464-48-8

Synonyms

5- (2-carbamoylhydrazineylidene) -1-methyl-6-oxo-2,3,5,6-tetrahydro-1H-indole-3-sulfonic acid

Molecular Formula

C10H12N4O5S

Molecular Weight

300.29

Target Alternative Name

Carbazochrome

Product Name Synonym

5- (2-carbamoylhydrazineylidene) -1-methyl-6-oxo-2,3,5,6-tetrahydro-1H-indole-3-sulfonic acid

Chemical Information

5-(Carbamoyldiazenyl)-6-hydroxy-1-methyl-2,3-dihydroindole-3-sulfonic acid

CAS Number	1464-48-8
PubChem CID	160575
IUPAC Name	5-(carbamoyldiazenyl)-6-hydroxy-1-methyl-2,3-dihydroindole-3-sulfonic acid
Molecular Formula	C10H12N4O5S
Molecular Weight	300.29
XLogP	-0.4
Topological Polar Surface Area	154
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	516

SMILES

CN1CC(C2=CC(=C(C=C21)O)N=NC(=O)N)S(=O)(=O)O

InChI

InChI=1S/C10H12N4O5S/c1-14-4-9(20(17,18)19)5-2-6(12-13-10(11)16)8(15)3-7(5)14/h2-3,9,15H,4H2,1H3,(H2,11,16)(H,17,18,19)

InChIKey

ITILPLDUDHXKNM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1464-48-8

CID: 160575

Formula: C10H12N4O5S

MW: 300.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.29
XLogP3	-0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	300.05284067
Monoisotopic Mass	300.05284067
Topological Polar Surface Area	154 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	516
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes