AG002ANE

19721-22-3 | 1-PROPANOL, 3-MERCAPTO-

AG002ANE

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CAS Number	19721-22-3
Catalog Number	AG002ANE(AGN-PC-0JLXA3)
Chemical Name	1-PROPANOL, 3-MERCAPTO-
IUPAC Name	3-sulfanylpropan-1-ol
InChI	InChI=1S/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2
InChI Key	SHLSSLVZXJBVHE-UHFFFAOYSA-N
MDL Number	MFCD00192262
Molecular Formula	C3H8OS
Molecular Weight	92.1600
NSC Number	46437
SMILES	OCCCS
Synonyms	3-mercaptopropanol, 3-Mercapto-1-propanol, 19721-22-3, 1-Propanol, 3-mercapto-, 3-mercaptopropanol, 3-Sulfanylpropan-1-ol, 3-Hydroxypropanethiol, 3-Hydroxypropyl mercaptan, SHLSSLVZXJBVHE-UHFFFAOYSA-N, 3-Mercapto-1-propanol, 97+%, NSC46437, 3-mecapto-1-propanol, 3-mecaptopropan-1-ol, 1-mercapto-3-propanol, 3-hydroxypropylmercaptan, 3-Mercaptopropan-1-ol, 3-Sulfanyl-1-propanol, 3-mercapto-propan-1-ol, 3-Sulfanyl-1-propanol #, ACMC-209f0y, AC1L3F8Z, AC1Q7CV4, DSSTox_CID_30392, DSSTox_GSID_51836, 3-Mercapto-1-propanol, 95%, CHEMBL3234722, DTXSID3051836, CTK0H7621, SHLSSLVZXJBVHE-UHFFFAOYSA-, KS-00000W3R, ZINC4705782, EINECS 264-572-5, Tox21_303927, ANW-23744, MFCD00192262, NSC-46437, AKOS015898616, NCGC00357168-01, SC-96391, CAS-19721-22-3, LS-122440, TC-112489, FT-0615945, M1206, A23296, I09-1877, J-012747, InChI=1/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2, Mercaptopropanol, Sulfanyl deriv., Propanol, mercapto-, C3-H8-O-S, CID88211, AR-1F3891, ethyl 4-amino-2-hydroxypyrimidine-5-carboxylate, 20187-46-6, 63947-56-8,

Complexity	16.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	92.03g/mol
Formal Charge	0
Heavy Atom Count	5
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	92.156g/mol
Monoisotopic Mass	92.03g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	21.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310-P312
UN Code	UN 2810

Certificate of Analysis

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