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Tolcide 2230 (90%)

CAT: 0572-TRC-T535280-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T535280-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21564-17-0
Hazard Statement
Toxic if swallowed; UN number: UN2902; Packing Group: II
Smiles
N#CSCSc1nc2ccccc2s1
Molecular Formula
C9 H6 N2 S3
Molecular Weight
238.35
InChI
InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2
Additionnal Information
IUPAC name: 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(Thiocyanomethylthio)benzothiazole

TCMTB is a wood preservative, marine biocide, contact fungicide, and as a preservative in paint.

CAS Number21564-17-0
PubChem CID30692
IUPAC Name1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate
Molecular FormulaC9H6N2S3
Molecular Weight238.4
XLogP3.1
Topological Polar Surface Area116
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity237
SMILES
C1=CC=C2C(=C1)N=C(S2)SCSC#N
InChI
InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2
InChIKey
TUBQDCKAWGHZPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Thiocyanomethylthio)benzothiazole
CAS: 21564-17-0
CID: 30692
Formula: C9H6N2S3
MW: 238.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.4
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass237.96931172
Monoisotopic Mass237.96931172
Topological Polar Surface Area116 Ų
Heavy Atom Count14
Formal Charge0
Complexity237
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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