ZINC 2-MERCAPTOBENZOTHIAZOLE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C7H4NS2.Zn
Molecular Weight	397.896
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ZINC 2-MERCAPTOBENZOTHIAZOLE

Structure Search

SMILES

[Zn++].[S-]C1=NC2=C(S1)C=CC=C2.[S-]C3=NC4=C(S3)C=CC=C4

InChI

InChIKey=PGNWIWKMXVDXHP-UHFFFAOYSA-L

InChI=1S/2C7H5NS2.Zn/c2*9-7-8-5-3-1-2-4-6(5)10-7;/h2*1-4H,(H,8,9);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula	Zn
Molecular Weight	65.409
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C7H5NS2
Molecular Weight	167.251
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:48:27 UTC 2023` Edited by `admin` on `Fri Dec 15 19:48:27 UTC 2023`
Record UNII	HMM5IX9Q3B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZINC 2-MERCAPTOBENZOTHIAZOLE

Systematic Name

English

ZINC MERCAPTOBENZOTHIAZOLE [HSDB]

Common Name

English

NSC-285168

Code

English

Classification Tree Code System Code

EPA PESTICIDE CODE

51705

Created by admin on Fri Dec 15 19:48:27 UTC 2023 , Edited by admin on Fri Dec 15 19:48:27 UTC 2023

Code System Code Type Description

PUBCHEM

9071

Created by admin on Fri Dec 15 19:48:27 UTC 2023 , Edited by admin on Fri Dec 15 19:48:27 UTC 2023

PRIMARY

ECHA (EC/EINECS)

205-840-3

Created by admin on Fri Dec 15 19:48:27 UTC 2023 , Edited by admin on Fri Dec 15 19:48:27 UTC 2023

PRIMARY

NSC

285168

Created by admin on Fri Dec 15 19:48:27 UTC 2023 , Edited by admin on Fri Dec 15 19:48:27 UTC 2023

PRIMARY

EPA CompTox

DTXSID6020808

Created by admin on Fri Dec 15 19:48:27 UTC 2023 , Edited by admin on Fri Dec 15 19:48:27 UTC 2023

PRIMARY

CAS

155-04-4

Created by admin on Fri Dec 15 19:48:27 UTC 2023 , Edited by admin on Fri Dec 15 19:48:27 UTC 2023

PRIMARY

HSDB

5419

Created by admin on Fri Dec 15 19:48:27 UTC 2023 , Edited by admin on Fri Dec 15 19:48:27 UTC 2023

PRIMARY

FDA UNII

HMM5IX9Q3B

Created by admin on Fri Dec 15 19:48:27 UTC 2023 , Edited by admin on Fri Dec 15 19:48:27 UTC 2023

PRIMARY

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