AG002LMR

22948-02-3 | Benzenethiol, 3-amino-

AG002LMR

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CAS Number	22948-02-3
Catalog Number	AG002LMR(AGN-PC-0JKLZU)
Chemical Name	Benzenethiol, 3-amino-
EC Number	245-344-4
IUPAC Name	3-aminobenzenethiol
InChI	InChI=1S/C6H7NS/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
InChI Key	KFFUEVDMVNIOHA-UHFFFAOYSA-N
MDL Number	MFCD00007791
Molecular Formula	C6H7NS
Molecular Weight	125.1915
SMILES	SC1=CC=CC(N)=C1
Synonyms	3-Aminothiophenol, 22948-02-3, 3-AMINOBENZENETHIOL, Benzenethiol, 3-amino-, 3-Mercaptoaniline, m-Amino Thiophenol, 3-aminobenzene-1-thiol, MFCD00007791, KFFUEVDMVNIOHA-UHFFFAOYSA-N, 3-amino thiophenol, EINECS 245-344-4, 3-amino-benzenethiol, PubChem2470, 3-Aminothiophenol, 96%, ACMC-1CO9C, AC1L1LW5, AC1Q51RQ, SCHEMBL61220, Jsp004629, CTK1A4334, KFFUEVDMVNIOHA-UHFFFAOYSA-, DTXSID00177488, ZINC388261, BCP18600, KS-00000X1V, ANW-25001, BBL027659, STK802232, AKOS005207015, MCULE-3765474547, PS-3256, RP19653, RTR-010733, TRA0092326, VZ26355, AC-10867, L483, SC-45963, DB-046030, TR-010733, FT-0614900, K-6357, W-107447, InChI=1/C6H7NS/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2, C6H7NS, Benzenethiol, 3-amino- (9CI), C6-H7-N-S, CID31577, 3-Aminothiophenol, 98% - 25G 25g, A1852,

Complexity	74.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	125.03g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	125.189g/mol
Monoisotopic Mass	125.03g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	27A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302+H312+H332-H314
Precuationary statements	P280-P305+P351+P338-P310
Siginal words

Certificate of Analysis

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