Dimatif

CAT: 0926-PAA46596-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-PAA46596-04Size:50 mg

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

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CAS Number

14465-96-4

Smiles

C1CN1P (=S) (N) N2CC2

Molecular Formula

C4H10N3PS

Molecular Weight

163.18 g/mol

Controlled

Chemical Information

Dimatif

CAS Number	14465-96-4
PubChem CID	107980
IUPAC Name	1-[amino(aziridin-1-yl)phosphinothioyl]aziridine
Molecular Formula	C4H10N3PS
Molecular Weight	163.18
XLogP	0.4
Topological Polar Surface Area	64.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	159

SMILES

C1CN1P(=S)(N)N2CC2

InChI

InChI=1S/C4H10N3PS/c5-8(9,6-1-2-6)7-3-4-7/h1-4H2,(H2,5,9)

InChIKey

RXZRAOONKFIKQQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14465-96-4

CID: 107980

Formula: C4H10N3PS

MW: 163.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.18
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	163.03330550
Monoisotopic Mass	163.03330550
Topological Polar Surface Area	64.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	159
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