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CAS 37887-04-0 2-Mercapto-3-butanol molecular structure lightbox
CAS RN: 37887-04-0

2-Mercapto-3-butanol

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260522 100g In stock Inquiry
Batchno.20260208 25g In stock Inquiry
Batchno.20260325 500g Out of stock Inquiry
Batchno.20250207 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260109 100g In stock Shanghai, Shandong Inquiry
Batchno.20251106 25g In stock Hebei Inquiry
Batchno.20251217 500g In stock Shandong Inquiry
Batchno.20251010 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: starshine_CAS37887-04-0
  • Purity/Analytical Methods: >99.0%
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37887-04-0 / 3-sulfanylbutan-2-ol

Standard CAS: 37887-04-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
37887-04-0
Multi CAS
Yes
Molecular Formula
C4H10OS
Molecular Weight
106.190000
Exact Mass
106.045236
InChI
InChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+/m1/s1
InChIKey
MJQWABQELVFQJL-DMTCNVIQSA-N

Physical Properties

Density
1.010-1.017

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.13
TPSA
20.23

LogP / Solubility

WLOGP
0.69
MLOGP
0.59
XLogP3
0.7
Consensus LogP
0.66
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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