Tryptophol Impurity 2

CAT: 1596-AR-T06175-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T06175-03Size:50 Units

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CAS Number

929083-72-7

Molecular Formula

C11H10N2OS

Molecular Weight

218.27

API Name

Tryptophol

Chemical Information

Rapalexin A

3-Isothiocyanato-4-methoxy-1H-indole has been reported in Eutrema halophilum, Arabidopsis thaliana, and other organisms with data available.

CAS Number	929083-72-7
PubChem CID	16102148
IUPAC Name	3-isothiocyanato-4-methoxy-1H-indole
Molecular Formula	C10H8N2OS
Molecular Weight	204.25
XLogP	3.4
Topological Polar Surface Area	69.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	253

SMILES

COC1=CC=CC2=C1C(=CN2)N=C=S

InChI

InChI=1S/C10H8N2OS/c1-13-9-4-2-3-7-10(9)8(5-11-7)12-6-14/h2-5,11H,1H3

InChIKey

DJDFPSQNQFBWJR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 929083-72-7

CID: 16102148

Formula: C10H8N2OS

MW: 204.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.25
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	204.03573406
Monoisotopic Mass	204.03573406
Topological Polar Surface Area	69.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	253
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
AR-T06174-01	Tryptophol Impurity 1
AR-T03149-01	Tryptophol
AR-T03413-01	7-Methyl Tryptophol
AR-T06173-01	N-Nitroso Tryptophol
AR-T03414-01	7-isopropyl Tryptophol
AR-T03152-01	5-Hydroxy Tryptophol
AR-T03148-01	Tryptophan Impurity 2
AR-T03150-01	5-Hydroxy Tryptophol-O-Glucuronide
AR-T03151-01	5-Hydroxy Tryptophol-O-Glucuronide-d4
AR-N01598-01	Nintedanib Impurity 2 (Intedanib Impurity 2)