3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride

C10H11ClO2S2 — CID 84710914

IUPAC3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc2c1SCCC2
InChIInChI=1S/C10H11ClO2S2/c11-15(12,13)7-9-4-1-3-8-5-2-6-14-10(8)9/h1,3-4H,2,5-7H2
InChIKeyHTZLCQFKERHYHD-UHFFFAOYSA-N
MW262.78 g/mol
LogP2.79
Rot. Bonds2

About 3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride

3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride (PubChem CID 84710914) has the molecular formula C10H11ClO2S2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride.

Molecular Properties

Compound Name3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride
PubChem CID84710914
Molecular FormulaC10H11ClO2S2
Molecular Weight262.78 g/mol
Exact Mass261.99
IUPAC Name3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc2c1SCCC2
InChIInChI=1S/C10H11ClO2S2/c11-15(12,13)7-9-4-1-3-8-5-2-6-14-10(8)9/h1,3-4H,2,5-7H2
InChIKeyHTZLCQFKERHYHD-UHFFFAOYSA-N
XLogP2.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride
CID 84706770
4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine
CID 117372199
(2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride
CID 117403381
8-nitro-3,4-dihydro-2H-thiochromene
CID 130045345
3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol
CID 117284873
2-[1-(3,4-dihydro-2H-thiochromen-8-yl)cyclopropyl]acetic acid
CID 117374325
4-(2,3-dihydro-1-benzothiophen-7-yl)butanoic acid
CID 117318569
10-chloro-2,3,4,6-tetrahydro-1-benzothiocin-5-one
CID 71747754
1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine
CID 105475037
6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride
CID 84709599
3,4-dihydro-2H-thiochromene
CID 66971118
(2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride
CID 84710918

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride?
The IUPAC name of 3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride (CID 84710914) is 3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride.
What is the SMILES notation for 3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride?
The canonical SMILES for 3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride is O=S(=O)(Cl)Cc1cccc2c1SCCC2.
What is the InChIKey of 3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride?
The InChIKey is HTZLCQFKERHYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S2/c11-15(12,13)7-9-4-1-3-8-5-2-6-14-10(8)9/h1,3-4H,2,5-7H2.
What are the key properties of 3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride?
3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride has a molecular weight of 262.78 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride is sourced from PubChem (CID 84710914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).