AG003I99

51755-66-9 | 3-(Methylthio)hexan-1-ol

AG003I99

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CAS Number	51755-66-9
Catalog Number	AG003I99(AGN-PC-0JL6O6)
Chemical Name	3-(Methylthio)hexan-1-ol
EC Number	257-380-8
FEMA Number	3438
IUPAC Name	3-methylsulfanylhexan-1-ol
InChI	InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3
InChI Key	JSASXSHMJYRPCM-UHFFFAOYSA-N
MDL Number	MFCD00010674
Molecular Formula	C7H16OS
Molecular Weight	148.2663
SMILES	CCCC(SC)CCO
Synonyms	3-(Methylthio)-1-hexanol, 51755-66-9, 3-(Methylthio)hexanol, 3-(Methylthio)hexan-1-ol, 1-Hexanol, 3-(methylthio)-, 3-methylsulfanylhexan-1-ol, 3-methylthiohexanol, 3-methylthio-1-hexanol, 3-(Methylmercapto)hexanol, R-3-(Methylthio)-1-hexanol, MFCD00010674, W-105868, C7H16OS, 3-(Methylmercapto)-1-hexanol, FEMA No. 3438, EINECS 257-380-8, 3-(methylthio) hexanol, ACMC-1AWHS, AI3-37114, 3-(methyl thio) hexanol, 3-(Methylthio)-hexan-1-ol, KSC491G8N, SCHEMBL112659, 3-(methylsulfanyl)hexan-1-ol, AC1L237J, CTK3J1386, KS-00000XBZ, JSASXSHMJYRPCM-UHFFFAOYSA-N, 3-(Methylthio)-1-hexanol, 97%, ANW-31327, AKOS015897450, FCH1115477, TRA0075169, ACM51755669, AN-41217, CC-12693, U118, 3-(Methylthio)-1-hexanol, >=97%, FG, DB-003339, RT-001836, FT-0613798, M2050, C-02667, I09-0137, J-640446, J-800460, 3- -1-hexanol, UNII-CFU4A74TQT, CFU4A74TQT, 1-hexanol, 3-(metilltio)-, (cyclohexenyloxy)trimethylsilane, C7-H16-O-S, CID65413, ZINC00409333, 2-Methylene-3-quinuclidinone hydrochloride dihydrate, 7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one,

Complexity	56.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.092g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	148.264g/mol
Monoisotopic Mass	148.092g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	45.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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