5-Indanyl isothiocyanate

CAT: 0127-OR1021824Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1021824Size:1 Each

Selected

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

Quick Request Actions

CAS Number

149865-84-9

Purity

=95%

Smiles

S=C=Nc1ccc2CCCc2c1

Chemical Information

5-isothiocyanato-2,3-dihydro-1H-indene

CAS Number	149865-84-9
PubChem CID	2759357
IUPAC Name	5-isothiocyanato-2,3-dihydro-1H-indene
Molecular Formula	C10H9NS
Molecular Weight	175.25
XLogP	4.2
Topological Polar Surface Area	44.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	208

SMILES

C1CC2=C(C1)C=C(C=C2)N=C=S

InChI

InChI=1S/C10H9NS/c12-7-11-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3H2

InChIKey

DRZNKOAIZHUADV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 149865-84-9

CID: 2759357

Formula: C10H9NS

MW: 175.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	175.25
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	175.04557046
Monoisotopic Mass	175.04557046
Topological Polar Surface Area	44.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	208
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
OR28889	2,5-Dimethoxyphenyl isothiocyanate
OR28850	3,5-Dichlorophenyl isothiocyanate
OR1021165	2,5-Dichloropentyl isothiocyanate
OR30188	3,5-Dimethoxyphenyl isothiocyanate
OR0546-01	Indane-2-isothiocyanate
BIT3022	5 (6) -Tetramethylrhodamine isothiocyanate
OR1021164-01	2,5-Dibromophenyl isothiocyanate
PC2875M	2,5-Difluorophenyl isothiocyanate
OR28859-01	2,5-dimethylphenyl isothiocyanate
OR30187-01	3,5-dimethylphenyl isothiocyanate

Catalog	Name
sc-284640A	5-Indanyl isothiocyanate
sc-272148	(R) - (-) -1-Indanyl isothiocyanate
sc-272328	(S) - (+) -1-Indanyl isothiocyanate
FE04409-01	Eosine-5-isothiocyanate
FT146888-01	Tetramethylrhodamine-5-isothiocyanate
GTR19249270-01	Naltrindole 5′-isothiocyanate
T86372-01	Eosin 5-isothiocyanate
GW1599-250mg	Eosin-5-isothiocyanate
#90018	Tetramethylrhodamine-5-ISOTHIOCYANATE IS
GT8666-1g	Fluorescein 5 (6) -isothiocyanate