AG003F44

699-12-7 | 2-(Phenylthio)ethanol

AG003F44

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CAS Number	699-12-7
Catalog Number	AG003F44(AGN-PC-04WZJ1)
Chemical Name	2-(Phenylthio)ethanol
EC Number	211-828-9
IUPAC Name	2-phenylsulfanylethanol
InChI	InChI=1S/C8H10OS/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key	KWWZHCSQVRVQGF-UHFFFAOYSA-N
MDL Number	MFCD00002905
Molecular Formula	C8H10OS
Molecular Weight	154.2294
NSC Number	57851
SMILES	OCCSC1=CC=CC=C1
UNII	9WA374O44P
Synonyms	2-phenylmercaptoethanol, 2-(Phenylthio)ethanol, 699-12-7, Phenylthioethanol, Ethanol, 2-(phenylthio)-, 2-Hydroxyethyl phenyl sulfide, 2-Phenylmercaptoethanol, 2-phenylsulfanylethanol, 2-phenylthioethanol, UNII-9WA374O44P, 2-(Phenylsulfanyl)ethanol, KWWZHCSQVRVQGF-UHFFFAOYSA-N, 9WA374O44P, MFCD00002905, EINECS 211-828-9, NSC 57851, PubChem10784, 2-(phenylthio) ethanol, 2-phenylsulfanyl-ethanol, 2-phenylthioethan-1-ol, AI3-17423, AC1L2CFK, AC1Q7DZZ, beta-phenylthioethylalcohol, 2-hydroxyethylphenylsulfide, 2-hydroxyethyl-phenylsulfid, 2-(phenylthio)ethan-1-ol, beta-phenylthioethyl-alcohol, 2-hydroxyethyl-phenylsulfide, AC1Q7DB0, ACMC-1B61Q, DSSTox_CID_26974, DSSTox_RID_82030, DSSTox_GSID_46974, SCHEMBL95988, 2-(Phenylsulfanyl)ethanol #, hydroxyethylphenylsulfide(2-), 2-Hydroxyethyl phenyl sulphide, 2-(Phenylthio)ethanol, 99%, (2-hydroxyethyl) phenyl sulfide, CHEMBL3185032, DTXSID1046974, CTK3J1577, KWWZHCSQVRVQGF-UHFFFAOYSA-, NSC57851, ZINC1688726, Tox21_301520, ANW-35795, NSC-57851, AKOS005206984, MCULE-1168521961, RP21872, RTR-033051, VZ34805, KS-0000114M, TRA-0204689, NCGC00256118-01, AK307580, AN-47302, CAS-699-12-7, CJ-27981, K990, SC-46195, TL8004915, TR-033051, A9243, FT-0612600, P0733, ST51039898, I09-1492, J-620011, Q-200147, InChI=1/C8H10OS/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2, 2- ethanol, C8H10OS, C8-H10-O-S, CID69685, AR-1I7642, 2-(Phenylthio)ethanol, 98% - 100G 100g, 1001185-88-1, 7248-40-0,

Complexity	79.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.045g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	154.227g/mol
Monoisotopic Mass	154.045g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	45.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H320-H332-H335
Packing Group
Precautionary statements	P261-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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