HB007

CAT: 0127-BUP23629-05Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP23629-05Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

2387821-46-5

Synonyms

HB-007, HB 007

MDL Number

MFCD34578507

Purity

≥98%

Smiles

N#CC=1C=CC=2N=C (SC2C1) NC (=O) NC=3C=CC=C (Cl) C3

Chemical Information

CID 146255136

CAS Number	2387821-46-5
PubChem CID	146255136
IUPAC Name	1-(3-chlorophenyl)-3-(6-cyano-1,3-benzothiazol-2-yl)urea
Molecular Formula	C15H9ClN4OS
Molecular Weight	328.8
XLogP	3.6
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	468

SMILES

C1=CC(=CC(=C1)Cl)NC(=O)NC2=NC3=C(S2)C=C(C=C3)C#N

InChI

InChI=1S/C15H9ClN4OS/c16-10-2-1-3-11(7-10)18-14(21)20-15-19-12-5-4-9(8-17)6-13(12)22-15/h1-7H,(H2,18,19,20,21)

InChIKey

URCZUKFRZQNQSQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2387821-46-5

CID: 146255136

Formula: C15H9ClN4OS

MW: 328.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.8
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	328.0185598
Monoisotopic Mass	328.0185598
Topological Polar Surface Area	106 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	468
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19190813-01	HB007