K-Ras-IN-1

CAT: 0607-BA5777-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5777-25Size:25 mg

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

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CAS Number

84783-01-7

Form

A solid

Molecular Formula

C11H13NOS

Molecular Weight

207.29

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

(2-Hydroxyphenyl)(Pyrrolidin-1-Yl)methanethione

CAS Number	84783-01-7
PubChem CID	551134
IUPAC Name	(2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione
Molecular Formula	C11H13NOS
Molecular Weight	207.29
XLogP	2.1
Topological Polar Surface Area	55.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	213

SMILES

C1CCN(C1)C(=S)C2=CC=CC=C2O

InChI

InChI=1S/C11H13NOS/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2

InChIKey

QIKLOVZAPGSYNO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 84783-01-7

CID: 551134

Formula: C11H13NOS

MW: 207.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.29
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	207.07178521
Monoisotopic Mass	207.07178521
Topological Polar Surface Area	55.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	213
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