AG00IIOH

95-30-7 | Carbamodithioic acid, diethyl-, 2-benzothiazolyl ester

AG00IIOH

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CAS Number	95-30-7
Catalog Number	AG00IIOH(AGN-PC-0JK7ZN)
Chemical Name	Carbamodithioic acid, diethyl-, 2-benzothiazolyl ester
EC Number	202-408-6
IUPAC Name	1,3-benzothiazol-2-yl N,N-diethylcarbamodithioate
InChI	InChI=1S/C12H14N2S3/c1-3-14(4-2)12(15)17-11-13-9-7-5-6-8-10(9)16-11/h5-8H,3-4H2,1-2H3
InChI Key	LFMQNMXVVXHZCC-UHFFFAOYSA-N
MDL Number	MFCD00059887
Molecular Formula	C12H14N2S3
Molecular Weight	282.4480
NSC Number	4035
SMILES	CCN(CC)C(=S)Sc1nc2ccccc2s1
UNII	19V77729YZ
Synonyms	95-30-7, 2-Benzothiazolyl diethyldithiocarbamate, Ethylac, Diethyldithiocarbamic acid 2-benzothiazolyl ester, Benzothiazol-2-yl diethyldithiocarbamate, Carbamodithioic acid, diethyl-, 2-benzothiazolyl ester, NSC 4035, 2-Benzothiazyl-N,N-diethylthiocarbamylsulfide, 2-Benzothiazyl N,N-diethylthiocarbamoyl sulfide, N,N-Diethylthiocarbamoyl 2-benzothiazolyl sulfide, UNII-19V77729YZ, 2-(N,N-Diethyldithiocarbamyl)benzoathinzole, 2-((N,N-Diethyldithio)carbamyl)benzoathiazole, Carbamodithioic acid, N,N-diethyl-, 2-benzothiazolyl ester, EINECS 202-408-6, Diethyldithiocarbamic acid, 2-benzothiazolyl ester, N,N-Diethylthiocarbamyl-2-benzothiazolyl sulphide, 2-Benzothiazolethiol, diethyldithiocarbamate (ester), BRN 0220149, Benzo[d]thiazol-2-yl diethylcarbamodithioate, CARBAMIC ACID, DIETHYLDITHIO-, 2-BENZOTHIAZOLYL ESTER, 2-Benzothiazolyl-N,N-diethylthiocarbamyl sulfide, 19V77729YZ, N,N-Diethylthiocarbamoyl-2-benzothiazolyl sulfide, 1,3-benzothiazol-2-yl N,N-diethylcarbamodithioate, 2-Benzothiazolyl-N,N-(diethylthio)carbamyl sulfide, 2-Benzothiazolethiol, (diethyldithio)carbamate (ester), 2-[(N,N-Diethyldithio)carbamyl]benzoathiazole, 2-BenzothiazolylDiethyldithiocarbamate, ACMC-209rye, AC1L1OAP, SCHEMBL78509, DTXSID4059122, CTK5H7636, LFMQNMXVVXHZCC-UHFFFAOYSA-, NSC4035, LFMQNMXVVXHZCC-UHFFFAOYSA-N, KS-000013VS, NSC-4035, ZINC1672963, ANW-40500, MFCD00059887, AKOS015898528, WLN: T56 BN DSJ CSYUS&N2&2, AN-24311, CJ-27227, LS-49313, 2-Benzothiazolethiol, diethyldithiocarbamate, TC-129245, 1,3-Benzothiazol-2-yl diethyldithiocarbamate, 2-(n,n-diethylthiocarbamoylthio)benzothiazole, D0248, diethyldithio-carbamicaci2-benzothiazolylester, FT-0725468, 1,3-benzothiazol-2-yl diethylcarbamodithioate, diethyl-carbamodithioicaci2-benzothiazolylester, 1,3-Benzothiazol-2-yl diethyldithiocarbamate #, 2-benzothiazolyl-n,n-diethylthiocarbamylsulfide, n,n-diethylthiocarbamyl-2-benzothiazolylsulphide, 2-benzothiazolethiol,diethyldithiocarbamate(ester), diethyldithiocarbamicacid2-benzothiazolylester95+%, I09-3113, 1-benzothiazol-2-ylsulfanyl-N,N-diethyl-methanethioamide, InChI=1/C12H14N2S3/c1-3-14(4-2)12(15)17-11-13-9-7-5-6-8-10(9)16-11/h5-8H,3-4H2,1-2H3, 5-Chloro-2-benzoxazolone, 5-Chloro-2(3H)-benzoxazolone, CID7229, C12H14N2S3, Carbamic acid, 2-benzothiazolyl ester, C12-H14-N2-S3, Carbamodithioic acid, 2-benzothiazolyl ester, 4-27-00-01851 (Beilstein Handbook Reference), N, N-Diethylthiocarbamoyl 2-benzothiazolyl sulfide, DIETHYLDITHIOCARBAMICACID2-BENZOTHIAZOLYLESTER,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	282.032g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	282.438g/mol
Monoisotopic Mass	282.032g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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