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170 hits found in 0.09 seconds.
Search terms: C4H9NO2S

Found by empirical formula

GridTileTableRecordChemReferEntrezPubChem

1

ID

Structure

Empirical Formula

Molecular Weight

Monoisotopic Mass, Da

LogP

ACD/LogD (pH 5.5)

ACD/LogD (pH 7.4)

InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	0.22
XLogP:	-2.20
ALOGPS:	-2.29

-2.28

-2.28

InChI=1/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	0.41
XLogP:	-0.10
ALOGPS:	-0.04

-0.48

0.36

InChI=1/C4H9NO2S/c5-2-1-3(8)4(6)7/h3,8H,1-2,5H2,(H,6,7)

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	0.01
XLogP:	-0.50
ALOGPS:	-2.31

-2.49

-2.5

InChI=1/C4H9NO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3,5H2

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	-1.78
XLogP:	-0.60
ALOGPS:	-1.70

-3.35

-1.94

InChI=1/C4H9NO2S/c6-4(7)3-5-1-2-8/h5,8H,1-3H2,(H,6,7)

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	0.16
XLogP:	-2.30
ALOGPS:	-0.53

-2.33

-2.35

InChI=1/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	0.38
XLogP:	-2.20

-2.11

-2.13

InChI=1/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	0.41
XLogP:	-0.10

-0.48

0.36

InChI=1/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	0.38
XLogP:	-2.20

-2.11

-2.13

InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	0.22
XLogP:	-2.20

-2.28

-2.28

InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	0.22
XLogP:	-2.20

-2.28

-2.28

InChI=1/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	0.38
XLogP:	-2.20
ALOGPS:	-2.21

-2.11

-2.13

InChI=1/C4H9NO2S/c1-8(6,7)5-3-2-4-5/h2-4H2,1H3

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	-0.30
XLogP:	-0.20

InChI=1/C4H9NO2S/c1-4-5(2)8(3,6)7/h4H,1H2,2-3H3

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	-0.39
XLogP:	0.70

InChI=1/C4H9NO2S/c6-8(7)4-2-1-3-5-8/h5H,1-4H2

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	-0.80
XLogP:	-0.10

InChI=1/C4H9NO2S/c1-2(8)3(5)4(6)7/h2-3,8H,5H2,1H3,(H,6,7)

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	0.58
XLogP:	-2.30
ALOGPS:	-2.17

InChI=1/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m1/s1

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	0.41
XLogP:	-0.10

-0.48

0.36

InChI=1/C4H9NO2S/c1-5-3(2-8)4(6)7/h3,5,8H,2H2,1H3,(H,6,7)/t3-/m0/s1

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	0.47
XLogP:	-2.20

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:

0.41

-0.48

0.36

InChI=1/C4H9NO2S/c1-5-3(2-8)4(6)7/h3,5,8H,2H2,1H3,(H,6,7)

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	0.47
XLogP:	-2.20
ALOGPS:	-1.02

-2.03

-2.04

InChI=1/C4H9NO2S/c1-3-7-4(6)5-8-2/h3H2,1-2H3,(H,5,6)

C₄H₉NO₂S

135.1848

135.035399

ACD/LogP:	1.29
XLogP:	1.10
ALOGPS:	0.50

1.28

1.23

1

Royal Society of Chemistry