AG006XP9

22524-35-2 | 3-Hydroxythietane 1,1-dioxide

AG006XP9

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CAS Number	22524-35-2
Catalog Number	AG006XP9(AGN-PC-0JNZE0)
Chemical Name	3-Hydroxythietane 1,1-dioxide
IUPAC Name	1,1-dioxothietan-3-ol
InChI	InChI=1S/C3H6O3S/c4-3-1-7(5,6)2-3/h3-4H,1-2H2
InChI Key	CIUZABLJPXPIFC-UHFFFAOYSA-N
MDL Number	MFCD22741759
Molecular Formula	C3H6O3S
Molecular Weight	122.1429
NSC Number	101855
SMILES	OC(C1)CS1(=O)=O
Synonyms	3-Hydroxythietane 1,1-dioxide, 22524-35-2, 3-Thietanol, 1,1-dioxide, 3-Thietanol,1,1-dioxide, NSC101855, 3-Thietanol,1-dioxide, AC1L6EDX, AC1Q6YSI, 1,1-dioxothietan-3-ol, 3-Thietanol-1,1-dioxide, NCIOpen2_001821, SCHEMBL10654177, CTK4E9642, DTXSID60295430, KS-000008KJ, ZINC1674463, 1,1-bis(oxidanylidene)thietan-3-ol, MFCD22741759, AKOS022171517, 3-hydroxy-1lambda-thietane-1,1-dione, ACN-039409, DS-5600, NSC-101855, AJ-29362, AK136793, QC-10869, DB-014294, 3-HYDROXY-1??-THIETANE-1,1-DIONE, CS-0051343, FT-0698046, HV2, 1-2 weeks, 3-Hydroxythietane-1,1-Dioxide, 3-hydroxy-1-thietane-1,1-dione, AR-1F5284, CID265635, 2263-58-3,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	122.004g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	122.138g/mol
Monoisotopic Mass	122.004g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	62.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number