S-(1,4-dithian-2-yl) 2-methylprop-2-enethioate;1,4-dithian-2-yl 2-methylprop-2-enoate;S-(1,4-dithian-2-yl) prop-2-enethioate;1,4-dithian-2-yl prop-2-enoate;S-(1,4-dithiepan-2-yl) prop-2-enethioate;1,4-dithiepan-2-yl prop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;1,4-oxathian-3-yl 2-methylprop-2-enoate;1,4-oxathian-2-yl prop-2-enoate;1,4-oxathian-3-yl prop-2-enoate;1,4-oxathiepan-2-yl 2-methylprop-2-enoate;1,4-oxathiepan-3-yl 2-methylprop-2-enoate;1,4-oxathiepan-2-yl prop-2-enoate;1,4-oxathiepan-3-yl prop-2-enoate;1,3-oxathiolan-5-yl 2-methylprop-2-enoate;1,3-oxathiolan-5-yl prop-2-enoate

C123H182O39S25 — CID 159978012

About S-(1,4-dithian-2-yl) 2-methylprop-2-enethioate;1,4-dithian-2-yl 2-methylprop-2-enoate;S-(1,4-dithian-2-yl) prop-2-enethioate;1,4-dithian-2-yl prop-2-enoate;S-(1,4-dithiepan-2-yl) prop-2-enethioate;1,4-dithiepan-2-yl prop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;1,4-oxathian-3-yl 2-methylprop-2-enoate;1,4-oxathian-2-yl prop-2-enoate;1,4-oxathian-3-yl prop-2-enoate;1,4-oxathiepan-2-yl 2-methylprop-2-enoate;1,4-oxathiepan-3-yl 2-methylprop-2-enoate;1,4-oxathiepan-2-yl prop-2-enoate;1,4-oxathiepan-3-yl prop-2-enoate;1,3-oxathiolan-5-yl 2-methylprop-2-enoate;1,3-oxathiolan-5-yl prop-2-enoate

S-(1,4-dithian-2-yl) 2-methylprop-2-enethioate;1,4-dithian-2-yl 2-methylprop-2-enoate;S-(1,4-dithian-2-yl) prop-2-enethioate;1,4-dithian-2-yl prop-2-enoate;S-(1,4-dithiepan-2-yl) prop-2-enethioate;1,4-dithiepan-2-yl prop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;1,4-oxathian-3-yl 2-methylprop-2-enoate;1,4-oxathian-2-yl prop-2-enoate;1,4-oxathian-3-yl prop-2-enoate;1,4-oxathiepan-2-yl 2-methylprop-2-enoate;1,4-oxathiepan-3-yl 2-methylprop-2-enoate;1,4-oxathiepan-2-yl prop-2-enoate;1,4-oxathiepan-3-yl prop-2-enoate;1,3-oxathiolan-5-yl 2-methylprop-2-enoate;1,3-oxathiolan-5-yl prop-2-enoate (PubChem CID 159978012) has the molecular formula C123H182O39S25 and a molecular weight of 3086.44 g/mol. Its IUPAC name is S-(1,4-dithian-2-yl) 2-methylprop-2-enethioate;1,4-dithian-2-yl 2-methylprop-2-enoate;S-(1,4-dithian-2-yl) prop-2-enethioate;1,4-dithian-2-yl prop-2-enoate;S-(1,4-dithiepan-2-yl) prop-2-enethioate;1,4-dithiepan-2-yl prop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;1,4-oxathian-3-yl 2-methylprop-2-enoate;1,4-oxathian-2-yl prop-2-enoate;1,4-oxathian-3-yl prop-2-enoate;1,4-oxathiepan-2-yl 2-methylprop-2-enoate;1,4-oxathiepan-3-yl 2-methylprop-2-enoate;1,4-oxathiepan-2-yl prop-2-enoate;1,4-oxathiepan-3-yl prop-2-enoate;1,3-oxathiolan-5-yl 2-methylprop-2-enoate;1,3-oxathiolan-5-yl prop-2-enoate.

Molecular Properties

• Compound Name: S-(1,4-dithian-2-yl) 2-methylprop-2-enethioate;1,4-dithian-2-yl 2-methylprop-2-enoate;S-(1,4-dithian-2-yl) prop-2-enethioate;1,4-dithian-2-yl prop-2-enoate;S-(1,4-dithiepan-2-yl) prop-2-enethioate;1,4-dithiepan-2-yl prop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;1,4-oxathian-3-yl 2-methylprop-2-enoate;1,4-oxathian-2-yl prop-2-enoate;1,4-oxathian-3-yl prop-2-enoate;1,4-oxathiepan-2-yl 2-methylprop-2-enoate;1,4-oxathiepan-3-yl 2-methylprop-2-enoate;1,4-oxathiepan-2-yl prop-2-enoate;1,4-oxathiepan-3-yl prop-2-enoate;1,3-oxathiolan-5-yl 2-methylprop-2-enoate;1,3-oxathiolan-5-yl prop-2-enoate
• PubChem CID: 159978012
• Molecular Formula: C123H182O39S25
• Molecular Weight: 3086.44 g/mol
• Exact Mass: 3082.53
• IUPAC Name: S-(1,4-dithian-2-yl) 2-methylprop-2-enethioate;1,4-dithian-2-yl 2-methylprop-2-enoate;S-(1,4-dithian-2-yl) prop-2-enethioate;1,4-dithian-2-yl prop-2-enoate;S-(1,4-dithiepan-2-yl) prop-2-enethioate;1,4-dithiepan-2-yl prop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;1,4-oxathian-3-yl 2-methylprop-2-enoate;1,4-oxathian-2-yl prop-2-enoate;1,4-oxathian-3-yl prop-2-enoate;1,4-oxathiepan-2-yl 2-methylprop-2-enoate;1,4-oxathiepan-3-yl 2-methylprop-2-enoate;1,4-oxathiepan-2-yl prop-2-enoate;1,4-oxathiepan-3-yl prop-2-enoate;1,3-oxathiolan-5-yl 2-methylprop-2-enoate;1,3-oxathiolan-5-yl prop-2-enoate
• SMILES: C=C(C)C(=O)OC1COCCCS1.C=C(C)C(=O)OC1COCCS1.C=C(C)C(=O)OC1CSCCCO1.C=C(C)C(=O)OC1CSCCO1.C=C(C)C(=O)OC1CSCCS1.C=C(C)C(=O)OC1CSCO1.C=C(C)C(=O)SC1CSCCS1.C=CC(=O)OC1COCCCS1.C=CC(=O)OC1COCCS1.C=CC(=O)OC1CSCCCO1.C=CC(=O)OC1CSCCCS1.C=CC(=O)OC1CSCCO1.C=CC(=O)OC1CSCCS1.C=CC(=O)OC1CSCO1.C=CC(=O)SC1CSCCCS1.C=CC(=O)SC1CSCCS1
• InChI: InChI=1S/2C9H14O3S.4C8H12O3S.2C8H12O2S2.2C8H12OS3.3C7H10O3S.C7H10O2S2.C7H10OS3.C6H8O3S/c1-7(2)9(10)12-8-6-13-5-3-4-11-8;1-7(2)9(10)12-8-6-11-4-3-5-13-8;1-6(2)8(9)11-7-5-12-4-3-10-7;1-6(2)8(9)11-7-5-10-3-4-12-7;1-2-7(9)11-8-6-12-5-3-4-10-8;1-2-7(9)11-8-6-10-4-3-5-12-8;1-6(2)8(9)10-7-5-11-3-4-12-7;1-2-7(9)10-8-6-11-4-3-5-12-8;1-6(2)8(9)12-7-5-10-3-4-11-7;1-2-7(9)12-8-6-10-4-3-5-11-8;1-5(2)7(8)10-6-3-11-4-9-6;1-2-6(8)10-7-5-11-4-3-9-7;1-2-6(8)10-7-5-9-3-4-11-7;1-2-6(8)9-7-5-10-3-4-11-7;1-2-6(8)11-7-5-9-3-4-10-7;1-2-5(7)9-6-3-10-4-8-6/h2*8H,1,3-6H2,2H3;2*7H,1,3-5H2,2H3;2*2,8H,1,3-6H2;7H,1,3-5H2,2H3;2,8H,1,3-6H2;7H,1,3-5H2,2H3;2,8H,1,3-6H2;6H,1,3-4H2,2H3;4*2,7H,1,3-5H2;2,6H,1,3-4H2
• InChIKey: OFKDKWIMCMCQJZ-UHFFFAOYSA-N
• XLogP: 24.32
• TPSA: 485.41 Ų
• H-Bond Acceptors: 64
• Rotatable Bonds: 32
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3086.44
LogP ≤ 5	24.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	64

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of S-(1,4-dithian-2-yl) 2-methylprop-2-enethioate;1,4-dithian-2-yl 2-methylprop-2-enoate;S-(1,4-dithian-2-yl) prop-2-enethioate;1,4-dithian-2-yl prop-2-enoate;S-(1,4-dithiepan-2-yl) prop-2-enethioate;1,4-dithiepan-2-yl prop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;1,4-oxathian-3-yl 2-methylprop-2-enoate;1,4-oxathian-2-yl prop-2-enoate;1,4-oxathian-3-yl prop-2-enoate;1,4-oxathiepan-2-yl 2-methylprop-2-enoate;1,4-oxathiepan-3-yl 2-methylprop-2-enoate;1,4-oxathiepan-2-yl prop-2-enoate;1,4-oxathiepan-3-yl prop-2-enoate;1,3-oxathiolan-5-yl 2-methylprop-2-enoate;1,3-oxathiolan-5-yl prop-2-enoate?

The IUPAC name of S-(1,4-dithian-2-yl) 2-methylprop-2-enethioate;1,4-dithian-2-yl 2-methylprop-2-enoate;S-(1,4-dithian-2-yl) prop-2-enethioate;1,4-dithian-2-yl prop-2-enoate;S-(1,4-dithiepan-2-yl) prop-2-enethioate;1,4-dithiepan-2-yl prop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;1,4-oxathian-3-yl 2-methylprop-2-enoate;1,4-oxathian-2-yl prop-2-enoate;1,4-oxathian-3-yl prop-2-enoate;1,4-oxathiepan-2-yl 2-methylprop-2-enoate;1,4-oxathiepan-3-yl 2-methylprop-2-enoate;1,4-oxathiepan-2-yl prop-2-enoate;1,4-oxathiepan-3-yl prop-2-enoate;1,3-oxathiolan-5-yl 2-methylprop-2-enoate;1,3-oxathiolan-5-yl prop-2-enoate (CID 159978012) is S-(1,4-dithian-2-yl) 2-methylprop-2-enethioate;1,4-dithian-2-yl 2-methylprop-2-enoate;S-(1,4-dithian-2-yl) prop-2-enethioate;1,4-dithian-2-yl prop-2-enoate;S-(1,4-dithiepan-2-yl) prop-2-enethioate;1,4-dithiepan-2-yl prop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;1,4-oxathian-3-yl 2-methylprop-2-enoate;1,4-oxathian-2-yl prop-2-enoate;1,4-oxathian-3-yl prop-2-enoate;1,4-oxathiepan-2-yl 2-methylprop-2-enoate;1,4-oxathiepan-3-yl 2-methylprop-2-enoate;1,4-oxathiepan-2-yl prop-2-enoate;1,4-oxathiepan-3-yl prop-2-enoate;1,3-oxathiolan-5-yl 2-methylprop-2-enoate;1,3-oxathiolan-5-yl prop-2-enoate.

What is the SMILES notation for S-(1,4-dithian-2-yl) 2-methylprop-2-enethioate;1,4-dithian-2-yl 2-methylprop-2-enoate;S-(1,4-dithian-2-yl) prop-2-enethioate;1,4-dithian-2-yl prop-2-enoate;S-(1,4-dithiepan-2-yl) prop-2-enethioate;1,4-dithiepan-2-yl prop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;1,4-oxathian-3-yl 2-methylprop-2-enoate;1,4-oxathian-2-yl prop-2-enoate;1,4-oxathian-3-yl prop-2-enoate;1,4-oxathiepan-2-yl 2-methylprop-2-enoate;1,4-oxathiepan-3-yl 2-methylprop-2-enoate;1,4-oxathiepan-2-yl prop-2-enoate;1,4-oxathiepan-3-yl prop-2-enoate;1,3-oxathiolan-5-yl 2-methylprop-2-enoate;1,3-oxathiolan-5-yl prop-2-enoate?

The canonical SMILES for S-(1,4-dithian-2-yl) 2-methylprop-2-enethioate;1,4-dithian-2-yl 2-methylprop-2-enoate;S-(1,4-dithian-2-yl) prop-2-enethioate;1,4-dithian-2-yl prop-2-enoate;S-(1,4-dithiepan-2-yl) prop-2-enethioate;1,4-dithiepan-2-yl prop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;1,4-oxathian-3-yl 2-methylprop-2-enoate;1,4-oxathian-2-yl prop-2-enoate;1,4-oxathian-3-yl prop-2-enoate;1,4-oxathiepan-2-yl 2-methylprop-2-enoate;1,4-oxathiepan-3-yl 2-methylprop-2-enoate;1,4-oxathiepan-2-yl prop-2-enoate;1,4-oxathiepan-3-yl prop-2-enoate;1,3-oxathiolan-5-yl 2-methylprop-2-enoate;1,3-oxathiolan-5-yl prop-2-enoate is C=C(C)C(=O)OC1COCCCS1.C=C(C)C(=O)OC1COCCS1.C=C(C)C(=O)OC1CSCCCO1.C=C(C)C(=O)OC1CSCCO1.C=C(C)C(=O)OC1CSCCS1.C=C(C)C(=O)OC1CSCO1.C=C(C)C(=O)SC1CSCCS1.C=CC(=O)OC1COCCCS1.C=CC(=O)OC1COCCS1.C=CC(=O)OC1CSCCCO1.C=CC(=O)OC1CSCCCS1.C=CC(=O)OC1CSCCO1.C=CC(=O)OC1CSCCS1.C=CC(=O)OC1CSCO1.C=CC(=O)SC1CSCCCS1.C=CC(=O)SC1CSCCS1.

What is the InChIKey of S-(1,4-dithian-2-yl) 2-methylprop-2-enethioate;1,4-dithian-2-yl 2-methylprop-2-enoate;S-(1,4-dithian-2-yl) prop-2-enethioate;1,4-dithian-2-yl prop-2-enoate;S-(1,4-dithiepan-2-yl) prop-2-enethioate;1,4-dithiepan-2-yl prop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;1,4-oxathian-3-yl 2-methylprop-2-enoate;1,4-oxathian-2-yl prop-2-enoate;1,4-oxathian-3-yl prop-2-enoate;1,4-oxathiepan-2-yl 2-methylprop-2-enoate;1,4-oxathiepan-3-yl 2-methylprop-2-enoate;1,4-oxathiepan-2-yl prop-2-enoate;1,4-oxathiepan-3-yl prop-2-enoate;1,3-oxathiolan-5-yl 2-methylprop-2-enoate;1,3-oxathiolan-5-yl prop-2-enoate?

The InChIKey is OFKDKWIMCMCQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14O3S.4C8H12O3S.2C8H12O2S2.2C8H12OS3.3C7H10O3S.C7H10O2S2.C7H10OS3.C6H8O3S/c1-7(2)9(10)12-8-6-13-5-3-4-11-8;1-7(2)9(10)12-8-6-11-4-3-5-13-8;1-6(2)8(9)11-7-5-12-4-3-10-7;1-6(2)8(9)11-7-5-10-3-4-12-7;1-2-7(9)11-8-6-12-5-3-4-10-8;1-2-7(9)11-8-6-10-4-3-5-12-8;1-6(2)8(9)10-7-5-11-3-4-12-7;1-2-7(9)10-8-6-11-4-3-5-12-8;1-6(2)8(9)12-7-5-10-3-4-11-7;1-2-7(9)12-8-6-10-4-3-5-11-8;1-5(2)7(8)10-6-3-11-4-9-6;1-2-6(8)10-7-5-11-4-3-9-7;1-2-6(8)10-7-5-9-3-4-11-7;1-2-6(8)9-7-5-10-3-4-11-7;1-2-6(8)11-7-5-9-3-4-10-7;1-2-5(7)9-6-3-10-4-8-6/h2*8H,1,3-6H2,2H3;2*7H,1,3-5H2,2H3;2*2,8H,1,3-6H2;7H,1,3-5H2,2H3;2,8H,1,3-6H2;7H,1,3-5H2,2H3;2,8H,1,3-6H2;6H,1,3-4H2,2H3;4*2,7H,1,3-5H2;2,6H,1,3-4H2.

What are the key properties of S-(1,4-dithian-2-yl) 2-methylprop-2-enethioate;1,4-dithian-2-yl 2-methylprop-2-enoate;S-(1,4-dithian-2-yl) prop-2-enethioate;1,4-dithian-2-yl prop-2-enoate;S-(1,4-dithiepan-2-yl) prop-2-enethioate;1,4-dithiepan-2-yl prop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;1,4-oxathian-3-yl 2-methylprop-2-enoate;1,4-oxathian-2-yl prop-2-enoate;1,4-oxathian-3-yl prop-2-enoate;1,4-oxathiepan-2-yl 2-methylprop-2-enoate;1,4-oxathiepan-3-yl 2-methylprop-2-enoate;1,4-oxathiepan-2-yl prop-2-enoate;1,4-oxathiepan-3-yl prop-2-enoate;1,3-oxathiolan-5-yl 2-methylprop-2-enoate;1,3-oxathiolan-5-yl prop-2-enoate?

S-(1,4-dithian-2-yl) 2-methylprop-2-enethioate;1,4-dithian-2-yl 2-methylprop-2-enoate;S-(1,4-dithian-2-yl) prop-2-enethioate;1,4-dithian-2-yl prop-2-enoate;S-(1,4-dithiepan-2-yl) prop-2-enethioate;1,4-dithiepan-2-yl prop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;1,4-oxathian-3-yl 2-methylprop-2-enoate;1,4-oxathian-2-yl prop-2-enoate;1,4-oxathian-3-yl prop-2-enoate;1,4-oxathiepan-2-yl 2-methylprop-2-enoate;1,4-oxathiepan-3-yl 2-methylprop-2-enoate;1,4-oxathiepan-2-yl prop-2-enoate;1,4-oxathiepan-3-yl prop-2-enoate;1,3-oxathiolan-5-yl 2-methylprop-2-enoate;1,3-oxathiolan-5-yl prop-2-enoate has a molecular weight of 3086.44 g/mol, XLogP of 24.32, 32 rotatable bonds, 0 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for S-(1,4-dithian-2-yl) 2-methylprop-2-enethioate;1,4-dithian-2-yl 2-methylprop-2-enoate;S-(1,4-dithian-2-yl) prop-2-enethioate;1,4-dithian-2-yl prop-2-enoate;S-(1,4-dithiepan-2-yl) prop-2-enethioate;1,4-dithiepan-2-yl prop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;1,4-oxathian-3-yl 2-methylprop-2-enoate;1,4-oxathian-2-yl prop-2-enoate;1,4-oxathian-3-yl prop-2-enoate;1,4-oxathiepan-2-yl 2-methylprop-2-enoate;1,4-oxathiepan-3-yl 2-methylprop-2-enoate;1,4-oxathiepan-2-yl prop-2-enoate;1,4-oxathiepan-3-yl prop-2-enoate;1,3-oxathiolan-5-yl 2-methylprop-2-enoate;1,3-oxathiolan-5-yl prop-2-enoate is sourced from PubChem (CID 159978012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).