AG003N2B

7442-07-1 | 6-Amino-2-mercaptobenzothiazole

AG003N2B

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CAS Number	7442-07-1
Catalog Number	AG003N2B(AGN-PC-0JX21D)
Chemical Name	6-Amino-2-mercaptobenzothiazole
EC Number	231-184-2
IUPAC Name	6-amino-3H-1,3-benzothiazole-2-thione
InChI	InChI=1S/C7H6N2S2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,8H2,(H,9,10)
InChI Key	IDPNFKLUBIKHSW-UHFFFAOYSA-N
MDL Number	MFCD00039987
Molecular Formula	C7H6N2S2
Molecular Weight	182.2659
SMILES	SC1=NC2=CC=C(N)C=C2S1
Synonyms	6-amino-2-mercaptobenzothiazole, 6-Amino-2-mercaptobenzothiazole, 7442-07-1, 6-Amino-2-benzothiazolethiol, 2(3H)-Benzothiazolethione, 6-amino-, USAF XR-30, 6-AMINO-2-BENZOTHIAZOLE-THIOL, 2-BENZOTHIAZOLETHIOL, 6-AMINO-, Benzothiazole, 2-mercapto-6-amino-, Benzothiazole, 6-amino-2-mercapto-, 6-Amino-1,3-benzothiazole-2-thiol, 6-Aminobenzothiazole-2-thiol, NSC 7916, 6-AMINOBENZO[D]THIAZOLE-2-THIOL, MLS002638030, IDPNFKLUBIKHSW-UHFFFAOYSA-N, EINECS 231-184-2, NSC 45347, WLN: T56 BN DSJ CSH GZ, AC1LGXRL, 6-aminobenzthiazol-2-thiol, AC1Q52DP, 6-aminobenzothiazol-2-thiol, Oprea1_252897, 6-amino-benzothiazol-2-thiol, BIDD:GT0746, SCHEMBL544757, 2(3H)-BENZOTHIAZOLETHIONE, 6-AMINO- (9CI), ACMC-2097l3, CHEMBL1718794, DTXSID0064703, SCHEMBL16700823, CTK5D9846, CTK7D8587, 6-amino-2-mercapto-benzothiazole, NSC7916, HMS3078F19, 2-Thio-1,3-benzimidazol-6-amine, ACT10157, ALBB-019239, NSC-7916, NSC45347, ZINC6567580, 2(3H)-Benzothiazolethione,6-amino-, ANW-14101, GEO-00151, MFCD00059164, NSC-45347, SBB016522, STK858658, 6-amino-3-hydrobenzothiazole-2-thione, AKOS000266332, AKOS002358657, 6-Amino-2-mercapto-1,3-benzothiazole, 6-Amino-2-mercaptobenzothiazole, 97%, 6-aminobenzo[d]thiazole-2(3H)-thione, AB02354, MCULE-3544530468, VT10156, 6-Amino-1,3-benzothiazole-2-thiol #, KS-000014V0, 6-amino-3H-1,3-benzothiazole-2-thione, LS-40831, SC-66712, SMR000057954, 6-AMINO-3H-BENZOTHIAZOLE-2-THIONE, DB-055877, TC-102846, A0682, FT-0620909, R1874, ST45028948, W-200061, I01-19603, F3284-7445, InChI=1/C7H6N2S2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,8H2,(H,9,10, CID853584, N/A,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.997g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	182.259g/mol
Monoisotopic Mass	181.997g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	95.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number