AG001XJU

1677-27-6 | 3H-1,2-Benzodithiol-3-one

AG001XJU

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CAS Number	1677-27-6
Catalog Number	AG001XJU(AGN-PC-0JLAR1)
Chemical Name	3H-1,2-Benzodithiol-3-one
EC Number	216-829-8
IUPAC Name	1,2-benzodithiol-3-one
InChI	InChI=1S/C7H4OS2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H
InChI Key	GZTYTTPPCAXUHB-UHFFFAOYSA-N
MDL Number	MFCD00134412
Molecular Formula	C7H4OS2
Molecular Weight	168.2361
NSC Number	158037
SMILES	S1SC(C2=C1C=CC=C2)=O
UNII	2SN20K238G
Synonyms	3H-1,2-Benzodithiol-3-one, 1677-27-6, Benzodithiolone, 3H-benzo[c][1,2]dithiol-3-one, 1,2-benzodithiol-3-one, UNII-2SN20K238G, NSC158037, GZTYTTPPCAXUHB-UHFFFAOYSA-N, 2SN20K238G, 3H-Benzo-1,2-dithiol-3-one, EINECS 216-829-8, NSC 158037, AC1Q6MRU, 1,2-Dithiaindan-3-one, AC1L2II2, SCHEMBL110286, benzo[d]1,2-dithiolen-3-one, CHEMBL255321, CTK0H6465, KS-00001URO, DTXSID20168358, ZINC154778, 6202AB, MFCD00134412, 3H-1,2-Benzodithiol-3-one, 97%, AKOS015889297, MCULE-3317007185, NSC-158037, KS-000018U4, AK392228, SC-17774, SY123412, ZB005875, DB-043711, FT-0633758, ST50984710, MFCD00134412 (97%), 2P-712, J-010390, I01-18739, C7H4OS2, C7-H4-O-S2, CID72707, AR-1F3317, 17109-93-2,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.97g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.228g/mol
Monoisotopic Mass	167.97g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	67.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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