AG001SB2

1613-51-0 | Tetrahydro-​2H-​thiopyran

AG001SB2

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CAS Number	1613-51-0
Catalog Number	AG001SB2(AGN-PC-0JKC97)
Chemical Name	Tetrahydro-​2H-​thiopyran
EC Number	216-561-1
IUPAC Name	thiane
InChI	InChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2
InChI Key	YPWFISCTZQNZAU-UHFFFAOYSA-N
MDL Number	MFCD00006662
Molecular Formula	C5H10S
Molecular Weight	102.1979
NSC Number	9459
SMILES	S1CCCCC1
Synonyms	Thiane, Pentamethylene sulfide, Tetrahydrothiopyran, 1613-51-0, TETRAHYDRO-2H-THIOPYRAN, Thiacyclohexane, 2H-Thiopyran, tetrahydro-, Penthiophane, Tetrahydrothiapyran, YPWFISCTZQNZAU-UHFFFAOYSA-N, tetrahydrothiopyrane, MFCD00006662, pentamethylenesulfide, thian, tetrahydro-thiopyran, EINECS 216-561-1, PubChem10562, 2H-Thiopyran,tetrahydro-, ACMC-1BOJ0, SCHEMBL13523, AC1L25R0, SCHEMBL4268008, CTK4C2592, DTXSID60167108, NSC9459, NSC-9459, ZINC4416382, ANW-21927, AKOS015903942, FCH1114865, 1413-51-0, AN-49536, CC-33567, TC-110672, FT-0633708, P0044, V2441, 27153-EP2270010A1, 27153-EP2277858A1, 27153-EP2281818A1, 27153-EP2292593A2, 27153-EP2292611A1, 27153-EP2295402A2, 27153-EP2298767A1, 27153-EP2305688A1, 27153-EP2308510A1, 27153-EP2308562A2, 27153-EP2308839A1, 27153-EP2308840A1, 27153-EP2308841A2, 27153-EP2308857A1, 27153-EP2311825A1, 27153-EP2314575A1, 27153-EP2314587A1, 27153-EP2371811A2, 65931-EP2272509A1, 65931-EP2308851A1, 142211-EP2270006A1, 142211-EP2270010A1, 142211-EP2289887A2, 142211-EP2289888A2, 142211-EP2292593A2, 178830-EP2280009A1, A810254, C-30752, I14-18372, InChI=1/C5H10S/c1-2-4-6-5-3-1/h1-5H, C5H10S, C5-H10-S, CID15367,

Complexity	30.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	102.05g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	102.195g/mol
Monoisotopic Mass	102.05g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	25.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225
Packing Group	Ⅱ
Precautionary statements	P210-P261
UN Code	UN 1993

Certificate of Analysis

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