AG003HHZ

18686-82-3 | 1,3,4-Thiadiazole-2-thiol

AG003HHZ

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CAS Number	18686-82-3
Catalog Number	AG003HHZ(AGN-PC-0KO6UU)
Chemical Name	1,3,4-Thiadiazole-2-thiol
EC Number	242-504-5
IUPAC Name	3H-1,3,4-thiadiazole-2-thione
InChI	InChI=1S/C2H2N2S2/c5-2-4-3-1-6-2/h1H,(H,4,5)
InChI Key	JLAMDELLBBZOOX-UHFFFAOYSA-N
MDL Number	MFCD00040404
Molecular Formula	C2H2N2S2
Molecular Weight	118.1807
NSC Number	184817
SMILES	S1C(NN=C1)=S
Synonyms	5-mercapto-1,3,4-thiadiazole, 18686-82-3, 2-mercapto-1,3,4-thiadiazole, 1,3,4-thiadiazole-2-thiol, 2-MERCAPTO-1,3,4-THIADIAZOL, 1,3,4-Thiadiazole-2(3H)-thione, 2-MERCAPTO THIADIAZOLE, 3H-1,3,4-thiadiazole-2-thione, MFCD00040404, 1,3,4-THIADIAZOL-2-YL HYDROSULFIDE, 5-Mercapto-1,3,4-thiadiazole, EINECS 242-504-5, MTD:2-Mereapto-1,3,4-Thiadiazole, ACMC-20ansd, NSC 184817, PubChem10119, AC1MHX9Z, SCHEMBL95689, KSC177E6P, 1,3,4-thiadiazole-2-thione, [1,3,4]thiadiazol-2-thiol, Jsp003830, 2-Mereapto-1,3,4-Thiadiazole, DTXSID8066399, 2-Sulphanyl-1,3,4-thiadiazole, CTK0H7267, KS-00000ZLU, 1,3,4-thiadiazolium-2-thiolate, 1,3,4-thiadiazolium-5-thiolate, 1,4-Thiadiazole-2(3H)-thione, 2-mercapto-[1,3,4]thiadiazole, JLAMDELLBBZOOX-UHFFFAOYSA-N, BCP12085, STR09095, ZINC5226028, CM-009, NSC184817, SBB041074, STL301389, AKOS000120555, AKOS028108738, AC-5580, ACN-045427, MCULE-7722306009, NSC-184817, RL02376, RTR-008636, TRA0035554, VZ24825, AN-10828, BP-12496, SC-01999, AB0008310, DB-044620, TR-008636, FT-0612740, ST50214737, K-5618, 686M823, I09-0059, W-107777, Z1913043764, Ambroxol Base, C2H2N2S2, C2-H2-N2-S2, ZINC05226028, CID3034302, T2884, 2-Amino-3,5-dibromo-N-(trans-4-hydroxycyclohexyl)benzylamine,

Complexity	97.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	117.966g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	118.172g/mol
Monoisotopic Mass	117.966g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	81.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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

Lot Number