AG0038YI

118292-06-1 | 2H-1-Benzothiopyran,6-ethynyl-3,4-dihydro-4,4-dimethyl-

AG0038YI

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CAS Number	118292-06-1
Catalog Number	AG0038YI(AGN-PC-0ND1XU)
Chemical Name	2H-1-Benzothiopyran,6-ethynyl-3,4-dihydro-4,4-dimethyl-
EC Number	601-515-9
IUPAC Name	6-ethynyl-4,4-dimethyl-2,3-dihydrothiochromene
InChI	InChI=1S/C13H14S/c1-4-10-5-6-12-11(9-10)13(2,3)7-8-14-12/h1,5-6,9H,7-8H2,2-3H3
InChI Key	KVHNVHGCQWNGLG-UHFFFAOYSA-N
MDL Number	MFCD00902029
Molecular Formula	C13H14S
Molecular Weight	202.3153
SMILES	C#Cc1ccc2c(c1)C(C)(C)CCS2
Synonyms	6-Ethynyl-4,4-dimethylthiochroman, 118292-06-1, 6-ethynyl-4,4-dimethyl-thiochroman, 4,4-DIMETHYL-6-ETHYNYLTHIOCHROMAN, 2H-1-Benzothiopyran,6-ethynyl-3,4-dihydro-4,4-dimethyl-, AK-77046, 2H-1-Benzothiopyran, 6-ethynyl-3,4-dihydro-4,4-dimethyl-, PubChem16384, ACMC-209v4g, SCHEMBL4309215, CTK4B0628, C13H14S, DTXSID20448804, KVHNVHGCQWNGLG-UHFFFAOYSA-N, 4.4-Dimethyl-6-ethynylthiochroman, ACT06746, BCP08778, CS-M1837, KS-00000L1O, ZINC1537155, 4,4-dimethyl-6-ethynyl-thiochroman, 6-ethynyl-4,4-dimethyl-thiochromane, ANW-44606, CE-232, MFCD00902029, (4,4-dimethylthiochroman-6-yl)ethyne, AKOS015842169, AC-6225, AN-6802, FCH1324858, LS40077, RL00697, RP25956, RP25957, RTC-010565, (4,4-dimethyl-thiochroman-6-yl)ethyne, (4,4-dimethylthiochroman-6-yl)acetylene, ACM118292061, AJ-26832, AS-15986, R708, SC-19428, (4,4-dimethylthiochroman-6- yl)acetylene, (4,4-dimethylthiochroman-6-yl) acetylene, AB0018281, AX8041204, ST2418948, 4CH-001884, FT-0658115, M-2209, 6-ethynyl-4,4-dimethyl-2,3-dihydrothiochromene, 292E061, A804084, I09-0480, J-003729, J-518694, 6-ethynyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran, 6-ethynyl-4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran, Tazarotene Impurity (6-Ethynyl-4,4-Dimethyl Thiochroman), ACN-S005346, RW2417, CID10932539, A2448, 118-72-9,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.082g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	202.315g/mol
Monoisotopic Mass	202.082g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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