NSC 319726 25mg

CAT: 0628-A12930-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A12930-25Size:25 mg

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

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CAS Number

71555-25-4

Chemical Information

N-[(E)-1-pyridin-2-ylethylideneamino]azetidine-1-carbothioamide

CAS Number	71555-25-4
PubChem CID	5351307
IUPAC Name	N-[(E)-1-pyridin-2-ylethylideneamino]azetidine-1-carbothioamide
Molecular Formula	C11H14N4S
Molecular Weight	234.32
XLogP	1.4
Topological Polar Surface Area	72.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	286

SMILES

C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2

InChI

InChI=1S/C11H14N4S/c1-9(10-5-2-3-6-12-10)13-14-11(16)15-7-4-8-15/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)/b13-9+

InChIKey

XDHBUMNIQRLHGO-UKTHLTGXSA-N

Chemical Structure

2D Structure

CAS: 71555-25-4

CID: 5351307

Formula: C11H14N4S

MW: 234.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.32
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	234.09391764
Monoisotopic Mass	234.09391764
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	286
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes