NHE3-IN-1

CAT: 0607-BA6795-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6795-10Size:10 mg

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

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CAS Number

632355-68-1

Form

A solid

Molecular Formula

C12H10ClN3S

Molecular Weight

263.75

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

Nhe3-IN-1

CAS Number	632355-68-1
PubChem CID	9861128
IUPAC Name	N-(2-chloro-4-methylthiophen-3-yl)-1H-benzimidazol-2-amine
Molecular Formula	C12H10ClN3S
Molecular Weight	263.75
XLogP	4.4
Topological Polar Surface Area	69
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	278

SMILES

CC1=CSC(=C1NC2=NC3=CC=CC=C3N2)Cl

InChI

InChI=1S/C12H10ClN3S/c1-7-6-17-11(13)10(7)16-12-14-8-4-2-3-5-9(8)15-12/h2-6H,1H3,(H2,14,15,16)

InChIKey

VCZHIOCRVCECIJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 632355-68-1

CID: 9861128

Formula: C12H10ClN3S

MW: 263.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	263.75
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	263.0283962
Monoisotopic Mass	263.0283962
Topological Polar Surface Area	69 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	278
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